6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid

C17H14BrNO4 — CID 154348280

IUPAC6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid
SMILESCOc1ccc(C2C=C(C(=O)O)c3cc(Br)ccc3N2O)cc1
InChIInChI=1S/C17H14BrNO4/c1-23-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19(16)22/h2-9,16,22H,1H3,(H,20,21)
InChIKeyOXPJOJCAWIFPHI-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.88
Rot. Bonds3

About 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid

6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid (PubChem CID 154348280) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid
PubChem CID154348280
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid
SMILESCOc1ccc(C2C=C(C(=O)O)c3cc(Br)ccc3N2O)cc1
InChIInChI=1S/C17H14BrNO4/c1-23-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19(16)22/h2-9,16,22H,1H3,(H,20,21)
InChIKeyOXPJOJCAWIFPHI-UHFFFAOYSA-N
XLogP3.88
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 10574222
dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
CID 132557467
[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079530
4-bromo-2-methylbenzoic acid;4-(4-methoxyphenyl)-2-methylbenzoic acid
CID 160999452
5-bromo-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 86581805
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
CID 102163215
7-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183642
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
[2-[(3R)-2-benzoyl-3-(4-bromophenyl)-1,3-dihydropyrazol-5-yl]-5-methoxyphenyl] acetate
CID 2209118
4-[3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]benzoic acid
CID 50888067
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid (CID 154348280) is 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid is COc1ccc(C2C=C(C(=O)O)c3cc(Br)ccc3N2O)cc1.
What is the InChIKey of 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid?
The InChIKey is OXPJOJCAWIFPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-23-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19(16)22/h2-9,16,22H,1H3,(H,20,21).
What are the key properties of 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid?
6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid has a molecular weight of 376.21 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-hydroxy-2-(4-methoxyphenyl)-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 154348280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).