3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one

C22H18N4O — CID 170995267

IUPAC3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one
SMILESCC(=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(N)cc1
InChIInChI=1S/C22H18N4O/c1-15(16-11-13-18(23)14-12-16)25-26-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(26)27/h2-14H,23H2,1H3
InChIKeyVCHOVLHTVPJSLY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.92
Rot. Bonds3

About 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one

3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one (PubChem CID 170995267) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one
PubChem CID170995267
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one
SMILESCC(=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(N)cc1
InChIInChI=1S/C22H18N4O/c1-15(16-11-13-18(23)14-12-16)25-26-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(26)27/h2-14H,23H2,1H3
InChIKeyVCHOVLHTVPJSLY-UHFFFAOYSA-N
XLogP3.92
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-1-[4-[(5-oxo-1-phenyl-3-pyridin-3-yl-4H-pyrazol-4-yl)diazenyl]phenyl]ethylideneamino]-2-phenylquinazolin-4-one
CID 170995396
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
3-(cinnamylideneamino)-2-phenylquinazolin-4-one
CID 4019443
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-ethyl-2-phenylquinazolin-4-one
CID 12626608

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one (CID 170995267) is 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one is CC(=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(N)cc1.
What is the InChIKey of 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is VCHOVLHTVPJSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-15(16-11-13-18(23)14-12-16)25-26-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(26)27/h2-14H,23H2,1H3.
What are the key properties of 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one?
3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 170995267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).