3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one

C17H11BrClNO2 — CID 15710367

IUPAC3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
SMILESCC(=O)c1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C17H11BrClNO2/c1-9(21)15-16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20-17(15)22/h2-8H,1H3,(H,20,22)
InChIKeyMMQORFNQCFQAHN-UHFFFAOYSA-N
MW376.64 g/mol
LogP4.81
Rot. Bonds2

About 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one

3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one (PubChem CID 15710367) has the molecular formula C17H11BrClNO2 and a molecular weight of 376.64 g/mol. Its IUPAC name is 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
PubChem CID15710367
Molecular FormulaC17H11BrClNO2
Molecular Weight376.64 g/mol
Exact Mass374.97
IUPAC Name3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
SMILESCC(=O)c1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C17H11BrClNO2/c1-9(21)15-16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20-17(15)22/h2-8H,1H3,(H,20,22)
InChIKeyMMQORFNQCFQAHN-UHFFFAOYSA-N
XLogP4.81
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Chloro-2-hydroxy-4-phenylquinolin-3-yl)ethanone
CID 678849
N-(4-bromophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 1293944
N-(4-bromo-3-methylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 1368621
2-[6-bromo-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic Acid
CID 1926360
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-fluorobenzamide
CID 4314630
3-acetyl-4-(4-chlorophenyl)quinolin-2(1H)-one
CID 2872496
3-Amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
CID 631671
N-(4-Bromo-2-(2-chlorobenzoyl)phenyl)-2-chloroacetamide
CID 587201
N-(4-bromo-3-methylphenyl)-3-(2-chlorophenyl)acrylamide
CID 1368623
5-bromo-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 53329418
4-Bromo-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]benzamide
CID 603859
6-bromo-4-phenyl-1H-quinolin-2-one
CID 766575

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
The IUPAC name of 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one (CID 15710367) is 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
The canonical SMILES for 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one is CC(=O)c1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
The InChIKey is MMQORFNQCFQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO2/c1-9(21)15-16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20-17(15)22/h2-8H,1H3,(H,20,22).
What are the key properties of 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one has a molecular weight of 376.64 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 15710367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).