4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one

C17H14ClNO — CID 22058094

IUPAC4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
SMILESCc1c(-c2cccc(Cl)c2)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H14ClNO/c1-11-16(12-6-5-7-13(18)10-12)14-8-3-4-9-15(14)19(2)17(11)20/h3-10H,1-2H3
InChIKeyZCZJLGKYYJFLJE-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.17
Rot. Bonds1

About 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one

4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one (PubChem CID 22058094) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
PubChem CID22058094
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
SMILESCc1c(-c2cccc(Cl)c2)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H14ClNO/c1-11-16(12-6-5-7-13(18)10-12)14-8-3-4-9-15(14)19(2)17(11)20/h3-10H,1-2H3
InChIKeyZCZJLGKYYJFLJE-UHFFFAOYSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
CID 123522555
1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one
CID 2785503
1-(3-chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one
CID 2785498
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one
CID 139899667
2-chloro-1-methylquinolin-4-one
CID 159375859
N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
CID 11727151
2-(3-chlorophenyl)-1-phenylquinolin-4-one
CID 102171684
6-chloro-3-(6-chloroindol-1-yl)-1-methyl-4-phenylquinolin-2-one
CID 134306095

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one (CID 22058094) is 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one is Cc1c(-c2cccc(Cl)c2)c2ccccc2n(C)c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one?
The InChIKey is ZCZJLGKYYJFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-16(12-6-5-7-13(18)10-12)14-8-3-4-9-15(14)19(2)17(11)20/h3-10H,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one?
4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one has a molecular weight of 283.76 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one is sourced from PubChem (CID 22058094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).