2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one

C21H15ClN2O — CID 155671969

IUPAC2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one
SMILESCc1cccc2c(=O)n(-c3ccccc3)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H15ClN2O/c1-14-8-7-12-17-19(14)23-20(16-11-5-6-13-18(16)22)24(21(17)25)15-9-3-2-4-10-15/h2-13H,1H3
InChIKeySTTJCGAXUYHKTM-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.01
Rot. Bonds2

About 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one

2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one (PubChem CID 155671969) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one
PubChem CID155671969
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one
SMILESCc1cccc2c(=O)n(-c3ccccc3)c(-c3ccccc3Cl)nc12
InChIInChI=1S/C21H15ClN2O/c1-14-8-7-12-17-19(14)23-20(16-11-5-6-13-18(16)22)24(21(17)25)15-9-3-2-4-10-15/h2-13H,1H3
InChIKeySTTJCGAXUYHKTM-UHFFFAOYSA-N
XLogP5.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one
CID 155671998
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
1-(2-chlorophenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42597297
3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one
CID 45268991
2-[(1S)-1-aminoethyl]-3-(3-chlorophenyl)-8-methylquinazolin-4-one
CID 90235858
1-chloro-12-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
CID 156767256
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one
CID 919306
8-chloro-2-ethyl-3-phenylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 144852752

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one (CID 155671969) is 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one is Cc1cccc2c(=O)n(-c3ccccc3)c(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one?
The InChIKey is STTJCGAXUYHKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c1-14-8-7-12-17-19(14)23-20(16-11-5-6-13-18(16)22)24(21(17)25)15-9-3-2-4-10-15/h2-13H,1H3.
What are the key properties of 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one?
2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one has a molecular weight of 346.82 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 155671969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).