(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone

C16H9BrClNO — CID 115790550

IUPAC(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
SMILESO=C(c1ccc(Br)c(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H9BrClNO/c17-13-5-3-12(9-14(13)18)16(20)11-4-6-15-10(8-11)2-1-7-19-15/h1-9H
InChIKeyYWKGWUINTUYQLK-UHFFFAOYSA-N
MW346.61 g/mol
LogP4.88
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone

(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone (PubChem CID 115790550) has the molecular formula C16H9BrClNO and a molecular weight of 346.61 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
PubChem CID115790550
Molecular FormulaC16H9BrClNO
Molecular Weight346.61 g/mol
Exact Mass344.96
IUPAC Name(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
SMILESO=C(c1ccc(Br)c(Cl)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H9BrClNO/c17-13-5-3-12(9-14(13)18)16(20)11-4-6-15-10(8-11)2-1-7-19-15/h1-9H
InChIKeyYWKGWUINTUYQLK-UHFFFAOYSA-N
XLogP4.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
6-bromo-7-chloroquinoline
CID 14548344
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
ethane;quinoline-6-carboxylic acid
CID 91364452
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105121566
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone (CID 115790550) is (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone is O=C(c1ccc(Br)c(Cl)c1)c1ccc2ncccc2c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone?
The InChIKey is YWKGWUINTUYQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO/c17-13-5-3-12(9-14(13)18)16(20)11-4-6-15-10(8-11)2-1-7-19-15/h1-9H.
What are the key properties of (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone?
(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone has a molecular weight of 346.61 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone is sourced from PubChem (CID 115790550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).