3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol

C18H17N3O3 — CID 135982526

IUPAC3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESCOc1cc(/C=N/Nc2cc(C)c3ccccc3n2)cc(O)c1O
InChIInChI=1S/C18H17N3O3/c1-11-7-17(20-14-6-4-3-5-13(11)14)21-19-10-12-8-15(22)18(23)16(9-12)24-2/h3-10,22-23H,1-2H3,(H,20,21)/b19-10+
InChIKeyUWABNZIKJFJSQW-VXLYETTFSA-N
MW323.35 g/mol
LogP3.41
Rot. Bonds4

About 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol

3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135982526) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135982526
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESCOc1cc(/C=N/Nc2cc(C)c3ccccc3n2)cc(O)c1O
InChIInChI=1S/C18H17N3O3/c1-11-7-17(20-14-6-4-3-5-13(11)14)21-19-10-12-8-15(22)18(23)16(9-12)24-2/h3-10,22-23H,1-2H3,(H,20,21)/b19-10+
InChIKeyUWABNZIKJFJSQW-VXLYETTFSA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
3-methoxy-5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135571881
2-methoxy-4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411435
4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 2852047
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221
4-[[[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]-2,6-dimethylphenol
CID 139976159
4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 135858157
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135982526) is 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol is COc1cc(/C=N/Nc2cc(C)c3ccccc3n2)cc(O)c1O.
What is the InChIKey of 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is UWABNZIKJFJSQW-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-7-17(20-14-6-4-3-5-13(11)14)21-19-10-12-8-15(22)18(23)16(9-12)24-2/h3-10,22-23H,1-2H3,(H,20,21)/b19-10+.
What are the key properties of 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol?
3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-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 3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135982526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).