3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one

C19H12ClN3O — CID 134092940

IUPAC3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cccnc1Cl
InChIInChI=1S/C19H12ClN3O/c20-17-16(11-6-12-21-17)23-18(13-7-2-1-3-8-13)22-15-10-5-4-9-14(15)19(23)24/h1-12H
InChIKeyGAYXBOBZTQOTNU-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.10
Rot. Bonds2

About 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one

3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one (PubChem CID 134092940) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
PubChem CID134092940
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cccnc1Cl
InChIInChI=1S/C19H12ClN3O/c20-17-16(11-6-12-21-17)23-18(13-7-2-1-3-8-13)22-15-10-5-4-9-14(15)19(23)24/h1-12H
InChIKeyGAYXBOBZTQOTNU-UHFFFAOYSA-N
XLogP4.10
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-quinolin-5-ylquinazolin-4-one
CID 12722024
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-phenyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)quinazolin-4-one
CID 3000610
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 716780
3-(2-methyl-4-nitrophenyl)-2-phenylquinazolin-4-one
CID 1107668
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one (CID 134092940) is 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccnc1Cl.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one?
The InChIKey is GAYXBOBZTQOTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-17-16(11-6-12-21-17)23-18(13-7-2-1-3-8-13)22-15-10-5-4-9-14(15)19(23)24/h1-12H.
What are the key properties of 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one?
3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one has a molecular weight of 333.78 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one is sourced from PubChem (CID 134092940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).