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

C21H19ClFNO2 — CID 24800771

IUPAC2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H19ClFNO2/c1-3-4-16(21(25)26)19-12(2)24-18-10-7-14(22)11-17(18)20(19)13-5-8-15(23)9-6-13/h5-11,16H,3-4H2,1-2H3,(H,25,26)
InChIKeyONOFRGAMQKUTEG-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.97
Rot. Bonds5

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

2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid (PubChem CID 24800771) has the molecular formula C21H19ClFNO2 and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid.

Molecular Properties

Compound Name2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid
PubChem CID24800771
Molecular FormulaC21H19ClFNO2
Molecular Weight371.84 g/mol
Exact Mass371.11
IUPAC Name2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H19ClFNO2/c1-3-4-16(21(25)26)19-12(2)24-18-10-7-14(22)11-17(18)20(19)13-5-8-15(23)9-6-13/h5-11,16H,3-4H2,1-2H3,(H,25,26)
InChIKeyONOFRGAMQKUTEG-UHFFFAOYSA-N
XLogP5.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid?
The IUPAC name of 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid (CID 24800771) is 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid.
What is the SMILES notation for 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid?
The canonical SMILES for 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid is CCCC(C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid?
The InChIKey is ONOFRGAMQKUTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO2/c1-3-4-16(21(25)26)19-12(2)24-18-10-7-14(22)11-17(18)20(19)13-5-8-15(23)9-6-13/h5-11,16H,3-4H2,1-2H3,(H,25,26).
What are the key properties of 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid?
2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid has a molecular weight of 371.84 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(4-fluorophenyl)-2-methylquinolin-3-yl]pentanoic acid is sourced from PubChem (CID 24800771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).