4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

C18H17N3O3 — CID 136847176

IUPAC4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCOc1cccc2c(N/N=C\c3ccc(O)cc3O)cc(C)nc12
InChIInChI=1S/C18H17N3O3/c1-11-8-15(14-4-3-5-17(24-2)18(14)20-11)21-19-10-12-6-7-13(22)9-16(12)23/h3-10,22-23H,1-2H3,(H,20,21)/b19-10-
InChIKeyXAENUDFDZBCUFW-GRSHGNNSSA-N
MW323.35 g/mol
LogP3.41
Rot. Bonds4

About 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 136847176) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID136847176
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCOc1cccc2c(N/N=C\c3ccc(O)cc3O)cc(C)nc12
InChIInChI=1S/C18H17N3O3/c1-11-8-15(14-4-3-5-17(24-2)18(14)20-11)21-19-10-12-6-7-13(22)9-16(12)23/h3-10,22-23H,1-2H3,(H,20,21)/b19-10-
InChIKeyXAENUDFDZBCUFW-GRSHGNNSSA-N
XLogP3.41
TPSA86.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
CID 44537227
8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
CID 24805849
2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 135537322
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130781
N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-[(8-methoxy-2-methylquinolin-4-yl)amino]-1H-indole-2-carboxamide
CID 162676112
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 136847176) is 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is COc1cccc2c(N/N=C\c3ccc(O)cc3O)cc(C)nc12.
What is the InChIKey of 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is XAENUDFDZBCUFW-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-8-15(14-4-3-5-17(24-2)18(14)20-11)21-19-10-12-6-7-13(22)9-16(12)23/h3-10,22-23H,1-2H3,(H,20,21)/b19-10-.
What are the key properties of 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 323.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 136847176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).