2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone

C17H10BrClFNO — CID 146661981

IUPAC2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc2ncc(Br)cc2c1)c1cc(Cl)ccc1F
InChIInChI=1S/C17H10BrClFNO/c18-12-7-11-5-10(1-4-16(11)21-9-12)6-17(22)14-8-13(19)2-3-15(14)20/h1-5,7-9H,6H2
InChIKeyWDLYVSFORZCMIO-UHFFFAOYSA-N
MW378.63 g/mol
LogP5.22
Rot. Bonds3

About 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone

2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 146661981) has the molecular formula C17H10BrClFNO and a molecular weight of 378.63 g/mol. Its IUPAC name is 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone
PubChem CID146661981
Molecular FormulaC17H10BrClFNO
Molecular Weight378.63 g/mol
Exact Mass376.96
IUPAC Name2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc2ncc(Br)cc2c1)c1cc(Cl)ccc1F
InChIInChI=1S/C17H10BrClFNO/c18-12-7-11-5-10(1-4-16(11)21-9-12)6-17(22)14-8-13(19)2-3-15(14)20/h1-5,7-9H,6H2
InChIKeyWDLYVSFORZCMIO-UHFFFAOYSA-N
XLogP5.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone 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

3-Bromo-1-phenacyl-quinolinium bromide
CID 2841003
1-(2,5-Dichlorophenyl)-3-(4-quinolinyl)-2-propen-1-one
CID 10359122
(E)-1-(3,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 10592356
Quinolinium, 1-[2-(4-bromophenyl)-2-oxoethyl]-, bromide
CID 10669105
(4-Chlorophenyl)[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 16190864
3-Bromo-1-(2-(4-chlorophenyl)-2-oxoethyl)quinolin-1-ium bromide
CID 24184073
3-Bromo-1-(2-(4-fluorophenyl)-2-oxoethyl)quinolin-1-ium bromide
CID 24184329
(E)-1-(4-bromophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one
CID 40531763
(Z)-1-(2,5-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 44364642
(Z)-1-(3,4-dichlorophenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 44364657
(E)-1-(2,5-dichlorophenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 44419469
(E)-3-(2-chloro-6-methylquinolin-3-yl)-1-(3-chlorophenyl)-2-methylprop-2-en-1-one
CID 52952879

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone (CID 146661981) is 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone is O=C(Cc1ccc2ncc(Br)cc2c1)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is WDLYVSFORZCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClFNO/c18-12-7-11-5-10(1-4-16(11)21-9-12)6-17(22)14-8-13(19)2-3-15(14)20/h1-5,7-9H,6H2.
What are the key properties of 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 378.63 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoquinolin-6-yl)-1-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 146661981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).