2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid

C23H22FNO2 — CID 5167181

IUPAC2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C23H22FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,27)
InChIKeyGBGDJTGJJQHTCJ-UHFFFAOYSA-N
MW363.43 g/mol
LogP6.10
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid

2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid (PubChem CID 5167181) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid
PubChem CID5167181
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)O
InChIInChI=1S/C23H22FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,27)
InChIKeyGBGDJTGJJQHTCJ-UHFFFAOYSA-N
XLogP6.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid (CID 5167181) is 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid is Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)O.
What is the InChIKey of 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid?
The InChIKey is GBGDJTGJJQHTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,27).
What are the key properties of 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid?
2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid has a molecular weight of 363.43 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5167181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).