3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C18H17N3O4 — CID 135562884

IUPAC3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)cc(OC)c1O
InChIInChI=1S/C18H17N3O4/c1-11-20-14-7-5-4-6-13(14)18(23)21(11)19-10-12-8-15(24-2)17(22)16(9-12)25-3/h4-10,22H,1-3H3/b19-10+
InChIKeyYUSOZAWHJWEZSL-VXLYETTFSA-N
MW339.35 g/mol
LogP2.31
Rot. Bonds4

About 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 135562884) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID135562884
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)cc(OC)c1O
InChIInChI=1S/C18H17N3O4/c1-11-20-14-7-5-4-6-13(14)18(23)21(11)19-10-12-8-15(24-2)17(22)16(9-12)25-3/h4-10,22H,1-3H3/b19-10+
InChIKeyYUSOZAWHJWEZSL-VXLYETTFSA-N
XLogP2.31
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isaindigotone
CID 135433966
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 135464616
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
N-phenyl-2-[(3,4,5-trimethoxybenzylidene)amino]benzamide
CID 1009810
3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
CID 135433285
2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135557878
3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-2-(phenoxymethyl)quinazolin-4(3H)-one
CID 135650632
3-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methylquinazolin-4-one
CID 135676089
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135616985
2-(4-Hydroxy-3-methoxyphenyl)quinazolin-4 (3h)-one
CID 136632047
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4(3H)-one
CID 777426

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 135562884) is 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is COc1cc(/C=N/n2c(C)nc3ccccc3c2=O)cc(OC)c1O.
What is the InChIKey of 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is YUSOZAWHJWEZSL-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-20-14-7-5-4-6-13(14)18(23)21(11)19-10-12-8-15(24-2)17(22)16(9-12)25-3/h4-10,22H,1-3H3/b19-10+.
What are the key properties of 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 339.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135562884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).