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

C16H9ClFNO2 — CID 22423715

IUPAC6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
SMILESO=C(c1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H9ClFNO2/c17-10-3-6-14-12(7-10)16(21)13(8-19-14)15(20)9-1-4-11(18)5-2-9/h1-8H,(H,19,21)
InChIKeyNSZXOJHTDYCEKQ-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.55
Rot. Bonds2

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

6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one (PubChem CID 22423715) has the molecular formula C16H9ClFNO2 and a molecular weight of 301.70 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
PubChem CID22423715
Molecular FormulaC16H9ClFNO2
Molecular Weight301.70 g/mol
Exact Mass301.03
IUPAC Name6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
SMILESO=C(c1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H9ClFNO2/c17-10-3-6-14-12(7-10)16(21)13(8-19-14)15(20)9-1-4-11(18)5-2-9/h1-8H,(H,19,21)
InChIKeyNSZXOJHTDYCEKQ-UHFFFAOYSA-N
XLogP3.55
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 53337344
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one (CID 22423715) is 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one is O=C(c1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one?
The InChIKey is NSZXOJHTDYCEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO2/c17-10-3-6-14-12(7-10)16(21)13(8-19-14)15(20)9-1-4-11(18)5-2-9/h1-8H,(H,19,21).
What are the key properties of 6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one?
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one has a molecular weight of 301.70 g/mol, XLogP of 3.55, 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-fluorobenzoyl)-1H-quinolin-4-one is sourced from PubChem (CID 22423715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).