2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid

C18H13ClFNO2 — CID 2118109

IUPAC2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1CC(=O)O
InChIInChI=1S/C18H13ClFNO2/c1-10-13(9-17(22)23)18(12-4-2-3-5-15(12)20)14-8-11(19)6-7-16(14)21-10/h2-8H,9H2,1H3,(H,22,23)
InChIKeyGKNFKVYKWCGDHS-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.63
Rot. Bonds3

About 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid

2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid (PubChem CID 2118109) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid
PubChem CID2118109
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Name2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1CC(=O)O
InChIInChI=1S/C18H13ClFNO2/c1-10-13(9-17(22)23)18(12-4-2-3-5-15(12)20)14-8-11(19)6-7-16(14)21-10/h2-8H,9H2,1H3,(H,22,23)
InChIKeyGKNFKVYKWCGDHS-UHFFFAOYSA-N
XLogP4.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.63
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-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
(2s)-2-(6-Chloro-2-Methyl-4-Phenylquinolin-3-Yl)pentanoic Acid
CID 45281242

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid (CID 2118109) is 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid is Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1CC(=O)O.
What is the InChIKey of 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid?
The InChIKey is GKNFKVYKWCGDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c1-10-13(9-17(22)23)18(12-4-2-3-5-15(12)20)14-8-11(19)6-7-16(14)21-10/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid?
2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid has a molecular weight of 329.76 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-fluorophenyl)-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 2118109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).