2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid

C17H19FN2O2 — CID 110432762

IUPAC2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(F)cc2c(NC2CCCC2)c1CC(=O)O
InChIInChI=1S/C17H19FN2O2/c1-10-13(9-16(21)22)17(20-12-4-2-3-5-12)14-8-11(18)6-7-15(14)19-10/h6-8,12H,2-5,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyYGMLHFMONKYMNY-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.66
Rot. Bonds4

About 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid

2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid (PubChem CID 110432762) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
PubChem CID110432762
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
SMILESCc1nc2ccc(F)cc2c(NC2CCCC2)c1CC(=O)O
InChIInChI=1S/C17H19FN2O2/c1-10-13(9-16(21)22)17(20-12-4-2-3-5-12)14-8-11(18)6-7-15(14)19-10/h6-8,12H,2-5,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyYGMLHFMONKYMNY-UHFFFAOYSA-N
XLogP3.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432865
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432764
2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
CID 110434146
2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
CID 110435547
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
CID 82304125
methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434107
methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
CID 110432664
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid (CID 110432762) is 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid is Cc1nc2ccc(F)cc2c(NC2CCCC2)c1CC(=O)O.
What is the InChIKey of 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
The InChIKey is YGMLHFMONKYMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-10-13(9-16(21)22)17(20-12-4-2-3-5-12)14-8-11(18)6-7-15(14)19-10/h6-8,12H,2-5,9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid has a molecular weight of 302.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 110432762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).