(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone

C18H14BrNO — CID 114329700

IUPAC(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
SMILESCc1cc(C(=O)c2ccc3ncccc3c2)cc(C)c1Br
InChIInChI=1S/C18H14BrNO/c1-11-8-15(9-12(2)17(11)19)18(21)14-5-6-16-13(10-14)4-3-7-20-16/h3-10H,1-2H3
InChIKeyJFQFLTFUTAGSHI-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.85
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone

(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone (PubChem CID 114329700) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
PubChem CID114329700
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
SMILESCc1cc(C(=O)c2ccc3ncccc3c2)cc(C)c1Br
InChIInChI=1S/C18H14BrNO/c1-11-8-15(9-12(2)17(11)19)18(21)14-5-6-16-13(10-14)4-3-7-20-16/h3-10H,1-2H3
InChIKeyJFQFLTFUTAGSHI-UHFFFAOYSA-N
XLogP4.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-3,5-dimethylphenyl)-quinolin-6-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

(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
CID 115790550
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775
ethane;quinoline-6-carboxylic acid
CID 91364452
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
CID 105121617
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
CID 62044989
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone (CID 114329700) is (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone is Cc1cc(C(=O)c2ccc3ncccc3c2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone?
The InChIKey is JFQFLTFUTAGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-11-8-15(9-12(2)17(11)19)18(21)14-5-6-16-13(10-14)4-3-7-20-16/h3-10H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone?
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone has a molecular weight of 340.22 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone is sourced from PubChem (CID 114329700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).