3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one

C24H19N3O2 — CID 4611421

IUPAC3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
SMILESCOc1ccc(C=CC=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H19N3O2/c1-29-20-15-13-18(14-16-20)8-7-17-25-27-23(19-9-3-2-4-10-19)26-22-12-6-5-11-21(22)24(27)28/h2-17H,1H3
InChIKeyKVHWXMZGUPLIDM-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.62
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one

3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one (PubChem CID 4611421) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
PubChem CID4611421
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
SMILESCOc1ccc(C=CC=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H19N3O2/c1-29-20-15-13-18(14-16-20)8-7-17-25-27-23(19-9-3-2-4-10-19)26-22-12-6-5-11-21(22)24(27)28/h2-17H,1H3
InChIKeyKVHWXMZGUPLIDM-UHFFFAOYSA-N
XLogP4.62
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-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-(cinnamylideneamino)-2-phenylquinazolin-4-one
CID 4019443
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
2-methylsulfanyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one
CID 10903336
2-(4-methoxyphenyl)-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 136624325
[2-nitro-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 126413416
2-phenyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 71566728
3-[[4-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126411172
3-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 136904665
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one (CID 4611421) is 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one is COc1ccc(C=CC=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is KVHWXMZGUPLIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-20-15-13-18(14-16-20)8-7-17-25-27-23(19-9-3-2-4-10-19)26-22-12-6-5-11-21(22)24(27)28/h2-17H,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one?
3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 381.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 4611421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).