2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid

C21H20ClNO2 — CID 24800940

IUPAC2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)
InChIKeyXRPUJSGGRFQZPJ-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.83
Rot. Bonds5

About 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid

2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid (PubChem CID 24800940) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid
PubChem CID24800940
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)
InChIKeyXRPUJSGGRFQZPJ-UHFFFAOYSA-N
XLogP5.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Zatolmilast
CID 90111638
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
2-Chloroquinoline-4-carboxylic acid
CID 230582
6-Chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
7-chloro-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 1132009
6-Chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid
CID 71556166
2-(4-Isopropylphenyl)quinoline-4-carboxylic acid
CID 623973
2-(4-Bromophenyl)-6-chloroquinoline-4-carboxylic acid
CID 1038445
3-[(2-chlorophenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 6516600
2-(2-Chlorophenyl)quinoline-4-carboxylic acid
CID 269171
Methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 698742
2-(3-Chlorophenyl)-3-methylquinoline-4-carboxylic acid
CID 874719

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid?
The IUPAC name of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid (CID 24800940) is 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid.
What is the SMILES notation for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid?
The canonical SMILES for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid is CCCC(C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid?
The InChIKey is XRPUJSGGRFQZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25).
What are the key properties of 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid?
2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid has a molecular weight of 353.85 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid is sourced from PubChem (CID 24800940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).