2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one

C20H14N4O — CID 4025421

IUPAC2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccncc1
InChIInChI=1S/C20H14N4O/c25-20-17-8-4-5-9-18(17)23-19(16-6-2-1-3-7-16)24(20)22-14-15-10-12-21-13-11-15/h1-14H
InChIKeyPMYLDABADFLNMG-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.34
Rot. Bonds3

About 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one

2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one (PubChem CID 4025421) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
PubChem CID4025421
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccncc1
InChIInChI=1S/C20H14N4O/c25-20-17-8-4-5-9-18(17)23-19(16-6-2-1-3-7-16)24(20)22-14-15-10-12-21-13-11-15/h1-14H
InChIKeyPMYLDABADFLNMG-UHFFFAOYSA-N
XLogP3.34
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-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

2-phenyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 71566728
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
3-(cinnamylideneamino)-2-phenylquinazolin-4-one
CID 4019443
2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 3886243
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
3-[[4-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126411172
3-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126405181
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 4569801
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 3949629

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one?
The IUPAC name of 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one (CID 4025421) is 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one?
The canonical SMILES for 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccncc1.
What is the InChIKey of 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one?
The InChIKey is PMYLDABADFLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c25-20-17-8-4-5-9-18(17)23-19(16-6-2-1-3-7-16)24(20)22-14-15-10-12-21-13-11-15/h1-14H.
What are the key properties of 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one?
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one has a molecular weight of 326.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one is sourced from PubChem (CID 4025421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).