6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one

C17H12ClNO2 — CID 22423707

IUPAC6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
SMILESCc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C17H12ClNO2/c1-10-2-4-11(5-3-10)16(20)14-9-19-15-7-6-12(18)8-13(15)17(14)21/h2-9H,1H3,(H,19,21)
InChIKeyQGJAUMFUPBPNJF-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.72
Rot. Bonds2

About 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one

6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one (PubChem CID 22423707) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
PubChem CID22423707
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
SMILESCc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C17H12ClNO2/c1-10-2-4-11(5-3-10)16(20)14-9-19-15-7-6-12(18)8-13(15)17(14)21/h2-9H,1H3,(H,19,21)
InChIKeyQGJAUMFUPBPNJF-UHFFFAOYSA-N
XLogP3.72
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 53337344
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
CID 4609633
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one (CID 22423707) is 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one is Cc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
The InChIKey is QGJAUMFUPBPNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10-2-4-11(5-3-10)16(20)14-9-19-15-7-6-12(18)8-13(15)17(14)21/h2-9H,1H3,(H,19,21).
What are the key properties of 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one?
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one has a molecular weight of 297.74 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one is sourced from PubChem (CID 22423707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).