4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid

C17H19FN2O2 — CID 122060187

IUPAC4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC2CCC(C(=O)O)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H19FN2O2/c1-10-8-16(14-9-12(18)4-7-15(14)19-10)20-13-5-2-11(3-6-13)17(21)22/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,19,20)(H,21,22)
InChIKeyMJCGKZCCIQTHKB-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.74
Rot. Bonds3

About 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122060187) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122060187
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC2CCC(C(=O)O)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H19FN2O2/c1-10-8-16(14-9-12(18)4-7-15(14)19-10)20-13-5-2-11(3-6-13)17(21)22/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,19,20)(H,21,22)
InChIKeyMJCGKZCCIQTHKB-UHFFFAOYSA-N
XLogP3.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 122060187) is 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid is Cc1cc(NC2CCC(C(=O)O)CC2)c2cc(F)ccc2n1.
What is the InChIKey of 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MJCGKZCCIQTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-10-8-16(14-9-12(18)4-7-15(14)19-10)20-13-5-2-11(3-6-13)17(21)22/h4,7-9,11,13H,2-3,5-6H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122060187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).