6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid

C17H12BrNO3 — CID 177209314

IUPAC6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid
SMILESCc1c(Oc2ccccc2)nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C17H12BrNO3/c1-10-15(17(20)21)13-9-11(18)7-8-14(13)19-16(10)22-12-5-3-2-4-6-12/h2-9H,1H3,(H,20,21)
InChIKeyXZDFTRMXDLMWCT-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.80
Rot. Bonds3

About 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid

6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid (PubChem CID 177209314) has the molecular formula C17H12BrNO3 and a molecular weight of 358.19 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid
PubChem CID177209314
Molecular FormulaC17H12BrNO3
Molecular Weight358.19 g/mol
Exact Mass357.00
IUPAC Name6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid
SMILESCc1c(Oc2ccccc2)nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C17H12BrNO3/c1-10-15(17(20)21)13-9-11(18)7-8-14(13)19-16(10)22-12-5-3-2-4-6-12/h2-9H,1H3,(H,20,21)
InChIKeyXZDFTRMXDLMWCT-UHFFFAOYSA-N
XLogP4.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-methyl-2-phenoxyquinoline-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

6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 176682695
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
6-bromo-3-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 159151175
6-bromo-3-methyl-2-[3-methyl-2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 152718657
tert-butyl 6-bromo-3-methyl-2-phenylquinoline-4-carboxylate
CID 122551271
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
1-(4-bromophenoxy)isoquinoline-3-carboxylic acid
CID 43343300
6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16772352
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 163338403
6-bromo-3-methyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 163774945

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid (CID 177209314) is 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid is Cc1c(Oc2ccccc2)nc2ccc(Br)cc2c1C(=O)O.
What is the InChIKey of 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid?
The InChIKey is XZDFTRMXDLMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3/c1-10-15(17(20)21)13-9-11(18)7-8-14(13)19-16(10)22-12-5-3-2-4-6-12/h2-9H,1H3,(H,20,21).
What are the key properties of 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid?
6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid has a molecular weight of 358.19 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 177209314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).