2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

C23H20N4O3 — CID 6298378

IUPAC2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESCOc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-20-13-12-16(14-21(20)30-2)15-24-26-23-25-19-11-7-6-10-18(19)22(28)27(23)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,26)/b24-15+
InChIKeyHUKWRBBUTLEXAL-BUVRLJJBSA-N
MW400.44 g/mol
LogP3.85
Rot. Bonds6

About 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (PubChem CID 6298378) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
PubChem CID6298378
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESCOc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-20-13-12-16(14-21(20)30-2)15-24-26-23-25-19-11-7-6-10-18(19)22(28)27(23)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,26)/b24-15+
InChIKeyHUKWRBBUTLEXAL-BUVRLJJBSA-N
XLogP3.85
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-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

3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
CID 1859832
3-{[(3,4-Dimethoxyphenyl)methyl]amino}-2-(3-methylphenyl)-3,4-dihydroquinazolin-4-one
CID 9551018
N'-(3,4-dimethoxybenzylidene)-2-(4-oxoquinazolin-3(4H)-yl)propanohydrazide
CID 9554359
3-[(3,4-dimethoxybenzyl)amino]-2-(2-fluorophenyl)quinazolin-4(3H)-one
CID 16187954
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide
CID 46934681
1,3-Benzodioxole-5-carbaldehyde (4-oxo-3,4-dihydro-2-quinazolinyl)hydrazone
CID 135433312
N'-(4-hydroxy-3-methoxybenzylidene)-2-(4-oxo-3(4H)-quinazolinyl)acetohydrazide
CID 135541141
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(4-oxoquinazolin-3(4H)-yl)acetohydrazide
CID 6863212
2-[(2Z)-2-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]hydrazinyl]-3-methylquinazolin-4-one
CID 11235248

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (CID 6298378) is 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is COc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC.
What is the InChIKey of 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The InChIKey is HUKWRBBUTLEXAL-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-20-13-12-16(14-21(20)30-2)15-24-26-23-25-19-11-7-6-10-18(19)22(28)27(23)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,26)/b24-15+.
What are the key properties of 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one has a molecular weight of 400.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 6298378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).