2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid

C16H10ClNO3 — CID 135402834

IUPAC2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc2cc(O)ccc12
InChIInChI=1S/C16H10ClNO3/c17-10-3-1-9(2-4-10)14-8-13(16(20)21)12-6-5-11(19)7-15(12)18-14/h1-8,19H,(H,20,21)
InChIKeyUYHZIMNCGKZGHE-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid

2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid (PubChem CID 135402834) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid
PubChem CID135402834
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc2cc(O)ccc12
InChIInChI=1S/C16H10ClNO3/c17-10-3-1-9(2-4-10)14-8-13(16(20)21)12-6-5-11(19)7-15(12)18-14/h1-8,19H,(H,20,21)
InChIKeyUYHZIMNCGKZGHE-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

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Related Compounds

2-(3-Carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid
CID 68234
2-Chloroquinoline-4-carboxylic acid
CID 230582
6-Chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 1746237
Cavosonstat
CID 56960912
2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 247361
2-(2-Chlorophenyl)quinoline-4-carboxylic acid
CID 269171
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
Methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 698742
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
7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid
CID 237084
2-(4-Chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
CID 14498162

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid (CID 135402834) is 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)nc2cc(O)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid?
The InChIKey is UYHZIMNCGKZGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-10-3-1-9(2-4-10)14-8-13(16(20)21)12-6-5-11(19)7-15(12)18-14/h1-8,19H,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid?
2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic 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 2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid is sourced from PubChem (CID 135402834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).