2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid

C17H11Br2NO2 — CID 50889207

IUPAC2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3cc(Br)ccc3Br)nc12
InChIInChI=1S/C17H11Br2NO2/c1-9-3-2-4-11-12(17(21)22)8-15(20-16(9)11)13-7-10(18)5-6-14(13)19/h2-8H,1H3,(H,21,22)
InChIKeyOSJFNHKUJKMCMH-UHFFFAOYSA-N
MW421.09 g/mol
LogP5.43
Rot. Bonds2

About 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid

2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid (PubChem CID 50889207) has the molecular formula C17H11Br2NO2 and a molecular weight of 421.09 g/mol. Its IUPAC name is 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid
PubChem CID50889207
Molecular FormulaC17H11Br2NO2
Molecular Weight421.09 g/mol
Exact Mass418.92
IUPAC Name2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3cc(Br)ccc3Br)nc12
InChIInChI=1S/C17H11Br2NO2/c1-9-3-2-4-11-12(17(21)22)8-15(20-16(9)11)13-7-10(18)5-6-14(13)19/h2-8H,1H3,(H,21,22)
InChIKeyOSJFNHKUJKMCMH-UHFFFAOYSA-N
XLogP5.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.09
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid 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

2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 104653272
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
CID 3837773
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid (CID 50889207) is 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid is Cc1cccc2c(C(=O)O)cc(-c3cc(Br)ccc3Br)nc12.
What is the InChIKey of 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is OSJFNHKUJKMCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2NO2/c1-9-3-2-4-11-12(17(21)22)8-15(20-16(9)11)13-7-10(18)5-6-14(13)19/h2-8H,1H3,(H,21,22).
What are the key properties of 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid?
2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 421.09 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 50889207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).