2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one

C25H17N3O — CID 1047183

IUPAC2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1-c1ccncc1
InChIInChI=1S/C25H17N3O/c29-25-22-8-4-5-9-23(22)27-24(28(25)21-14-16-26-17-15-21)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H
InChIKeyQBRHJXVWVYIFJI-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.11
Rot. Bonds3

About 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one

2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one (PubChem CID 1047183) has the molecular formula C25H17N3O and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
PubChem CID1047183
Molecular FormulaC25H17N3O
Molecular Weight375.43 g/mol
Exact Mass375.14
IUPAC Name2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1-c1ccncc1
InChIInChI=1S/C25H17N3O/c29-25-22-8-4-5-9-23(22)27-24(28(25)21-14-16-26-17-15-21)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H
InChIKeyQBRHJXVWVYIFJI-UHFFFAOYSA-N
XLogP5.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one?
The IUPAC name of 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one (CID 1047183) is 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one.
What is the SMILES notation for 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one?
The canonical SMILES for 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1-c1ccncc1.
What is the InChIKey of 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one?
The InChIKey is QBRHJXVWVYIFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O/c29-25-22-8-4-5-9-23(22)27-24(28(25)21-14-16-26-17-15-21)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H.
What are the key properties of 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one?
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one has a molecular weight of 375.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one is sourced from PubChem (CID 1047183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).