(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone

C17H12BrNO2 — CID 115789920

IUPAC(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
SMILESCOc1cc(Br)ccc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C17H12BrNO2/c1-21-16-10-11(18)7-8-14(16)17(20)13-4-2-6-15-12(13)5-3-9-19-15/h2-10H,1H3
InChIKeyMLRTYHLJEDCXHL-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.24
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone

(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone (PubChem CID 115789920) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
PubChem CID115789920
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
SMILESCOc1cc(Br)ccc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C17H12BrNO2/c1-21-16-10-11(18)7-8-14(16)17(20)13-4-2-6-15-12(13)5-3-9-19-15/h2-10H,1H3
InChIKeyMLRTYHLJEDCXHL-UHFFFAOYSA-N
XLogP4.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone 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

(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate
CID 60607922
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
CID 177204669
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
pyrimidin-4-yl(quinolin-5-yl)methanone
CID 81220260

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone (CID 115789920) is (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone is COc1cc(Br)ccc1C(=O)c1cccc2ncccc12.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone?
The InChIKey is MLRTYHLJEDCXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-21-16-10-11(18)7-8-14(16)17(20)13-4-2-6-15-12(13)5-3-9-19-15/h2-10H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone?
(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone has a molecular weight of 342.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 115789920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).