Molecular formula
C21H15N3O2

SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CC4=CC=CC=C4C=N3)O

Fragrance
Fruity	43.3%
Odorless	38.04%
Grape	29.17%
Cooked	28.91%
Bitter	27.21%
Savory	26.34%
Meaty	23.86%
Burnt	23.46%
Roasted	19.4%
Pungent	19.17%

 

Flavor
Bitter	92.39%
Odorless	32.73%
Nitrile	20.44%
Very strong	19.5%
Indole	19.15%
Sweet-like	18.51%
Bland	18.42%
Cedarleaf	18.28%
Moth ball	18.17%
Bread crust	18.13%

 

Odor impact est.
Odorless

XLogP3-AA
4.2

pKa est.
7.21 (neutral)

Molecular weight
341.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
1008°C

Flash point

• 285.4 ˚C est.

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]isoquinoline-3-carboxamide is a specialized building block in organic synthesis, commonly evaluated as an intermediate for constructing heterocyclic frameworks in pharmaceutical and agrochemical research. It may serve as a chromophore or precursor in dye and pigment chemistries relevant to coatings and inks. It can function as a ligand or starting point for catalyst development and advanced materials in polymers and electronics. In research settings, it is used in exploratory fluorescence labeling or analytical method development. Subject to local regulations and formulation constraints, it represents a niche intermediate in industrial manufacturing and research.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	0.4
methanol	0.45
isopropanol	0.37
water	0.0
ethyl acetate	0.53
n-propanol	0.52
acetone	1.45
n-butanol	0.46
acetonitrile	0.31
DMF	3.95
toluene	0.81
isobutanol	0.35
1,4-dioxane	2.18
methyl acetate	0.78
THF	15.16
2-butanone	2.14
n-pentanol	0.55
sec-butanol	0.43
n-hexane	0.02
ethylene glycol	0.22
NMP	2.36
cyclohexane	0.01
DMSO	10.88
n-butyl acetate	0.66
n-octanol	0.22
chloroform	0.65
n-propyl acetate	0.7
acetic acid	1.01
dichloromethane	1.35
cyclohexanone	2.08
propylene glycol	0.26
isopropyl acetate	0.6
DMAc	8.49
2-ethoxyethanol	2.32
isopentanol	0.52
n-heptane	0.04
ethyl formate	0.5
1,2-dichloroethane	1.56
n-hexanol	0.49
2-methoxyethanol	3.09
isobutyl acetate	0.46
tetrachloromethane	0.09
n-pentyl acetate	0.86
transcutol	8.54
n-heptanol	0.45
ethylbenzene	0.41
MIBK	0.9
2-propoxyethanol	2.88
tert-butanol	0.47
MTBE	0.4
2-butoxyethanol	2.21
propionic acid	0.5
o-xylene	0.42
formic acid	0.75
diethyl ether	0.44
m-xylene	0.4
p-xylene	0.52
chlorobenzene	0.53
dimethyl carbonate	0.85
n-octane	0.02
formamide	1.52
cyclopentanone	5.02
2-pentanone	1.14
anisole	0.95
cyclopentyl methyl ether	1.26
gamma-butyrolactone	4.08
1-methoxy-2-propanol	2.02
pyridine	4.2
3-pentanone	0.92
furfural	4.47
n-dodecane	0.02
diethylene glycol	2.29
diisopropyl ether	0.14
tert-amyl alcohol	0.5
acetylacetone	1.96
n-hexadecane	0.02
acetophenone	1.43
methyl propionate	0.78
isopentyl acetate	0.96
trichloroethylene	4.03
n-nonanol	0.32
cyclohexanol	0.33
benzyl alcohol	1.16
2-ethylhexanol	0.44
isooctanol	0.44
dipropyl ether	0.86
1,2-dichlorobenzene	0.59
ethyl lactate	0.67
propylene carbonate	0.98
n-methylformamide	1.25
2-pentanol	0.3
n-pentane	0.01
1-propoxy-2-propanol	1.7
1-methoxy-2-propyl acetate	1.83
2-(2-methoxypropoxy) propanol	2.67
mesitylene	0.2
ε-caprolactone	1.63
p-cymene	0.39
epichlorohydrin	9.8
1,1,1-trichloroethane	0.56
2-aminoethanol	0.41
morpholine-4-carbaldehyde	3.53
sulfolane	6.91
2,2,4-trimethylpentane	0.02
2-methyltetrahydrofuran	2.19
n-hexyl acetate	0.69
isooctane	0.01
2-(2-butoxyethoxy)ethanol	3.45
sec-butyl acetate	0.58
tert-butyl acetate	0.87
decalin	0.02
glycerin	0.94
diglyme	8.0
acrylic acid	0.71
isopropyl myristate	0.52
n-butyric acid	0.67
acetyl acetate	0.44
di(2-ethylhexyl) phthalate	0.71
ethyl propionate	0.71
nitromethane	2.57
1,2-diethoxyethane	2.41
benzonitrile	0.87
trioctyl phosphate	0.43
1-bromopropane	0.49
gamma-valerolactone	6.98
n-decanol	0.27
triethyl phosphate	0.76
4-methyl-2-pentanol	0.26
propionitrile	0.53
vinylene carbonate	1.0
1,1,2-trichlorotrifluoroethane	4.55
DMS	1.01
cumene	0.3
2-octanol	0.23
2-hexanone	1.36
octyl acetate	0.59
limonene	0.33
1,2-dimethoxyethane	5.08
ethyl orthosilicate	0.8
tributyl phosphate	0.54
diacetone alcohol	1.78
N,N-dimethylaniline	0.9
acrylonitrile	0.98
aniline	1.07
1,3-propanediol	0.91
bromobenzene	0.48
dibromomethane	0.51
1,1,2,2-tetrachloroethane	2.6
2-methyl-cyclohexyl acetate	0.89
tetrabutyl urea	1.08
diisobutyl methanol	0.38
2-phenylethanol	1.27
styrene	0.4
dioctyl adipate	0.95
dimethyl sulfate	1.9
ethyl butyrate	0.81
methyl lactate	0.9
butyl lactate	0.97
diethyl carbonate	0.63
propanediol butyl ether	0.99
triethyl orthoformate	1.01
p-tert-butyltoluene	0.34
methyl 4-tert-butylbenzoate	1.97
morpholine	2.78
tert-butylamine	0.19
n-dodecanol	0.22
dimethoxymethane	3.04
ethylene carbonate	0.67
cyrene	2.29
2-ethoxyethyl acetate	2.01
2-ethylhexyl acetate	0.71
1,2,4-trichlorobenzene	1.04
4-methylpyridine	2.12
dibutyl ether	0.66
2,6-dimethyl-4-heptanol	0.38
DEF	1.37
dimethyl isosorbide	5.15
tetrachloroethylene	1.85
eugenol	2.27
triacetin	1.3
span 80	1.45
1,4-butanediol	0.38
1,1-dichloroethane	0.54
2-methyl-1-pentanol	0.68
methyl formate	1.16
2-methyl-1-butanol	0.48
n-decane	0.03
butyronitrile	0.46
3,7-dimethyl-1-octanol	0.34
1-chlorooctane	0.19
1-chlorotetradecane	0.1
n-nonane	0.02
undecane	0.03
tert-butylcyclohexane	0.02
cyclooctane	0.01
cyclopentanol	0.51
tetrahydropyran	1.28
tert-amyl methyl ether	0.51
2,5,8-trioxanonane	5.75
1-hexene	0.14
2-isopropoxyethanol	1.55
2,2,2-trifluoroethanol	0.48
methyl butyrate	0.94

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