3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid

C16H10ClNO3 — CID 56960912

IUPAC3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)ccc3n2)c(Cl)c1
InChIInChI=1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21)
InChIKeyBXSZILNGNMDGSL-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.96
Rot. Bonds2

About 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid

3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid (PubChem CID 56960912) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
PubChem CID56960912
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)ccc3n2)c(Cl)c1
InChIInChI=1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21)
InChIKeyBXSZILNGNMDGSL-UHFFFAOYSA-N
XLogP3.96
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic 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-Chloroquinoline-4-carboxylic acid
CID 230582
3-[(2-chlorophenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 6516600
2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 247361
2-(2-Chlorophenyl)quinoline-4-carboxylic acid
CID 269171
2-(3-Chlorophenyl)-3-methylquinoline-4-carboxylic acid
CID 874719
(E)-1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one
CID 5964636
S 8660
CID 130331
7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid
CID 237084
5-Chloro-2-hydroxy-3-(3-(3-(2-(quinolin-2-yl)vinyl)phenyl)acryloyl)benzoic acid
CID 10647443
2-(3-Chlorophenyl)quinoline-4-carboxylic acid
CID 276278
6-Chloro-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 1133093
2-(3-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 673729

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid?
The IUPAC name of 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid (CID 56960912) is 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid?
The canonical SMILES for 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid is O=C(O)c1ccc(-c2ccc3cc(O)ccc3n2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid?
The InChIKey is BXSZILNGNMDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21).
What are the key properties of 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid?
3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid has a molecular weight of 299.71 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid is sourced from PubChem (CID 56960912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).