2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid

C18H21FN2O2 — CID 110434146

IUPAC2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
SMILESCc1nc2ccc(F)cc2c(N2CCC(C)CC2)c1CC(=O)O
InChIInChI=1S/C18H21FN2O2/c1-11-5-7-21(8-6-11)18-14(10-17(22)23)12(2)20-16-4-3-13(19)9-15(16)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,23)
InChIKeyALLKAUFFUPHSMZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.55
Rot. Bonds3

About 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid

2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid (PubChem CID 110434146) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
PubChem CID110434146
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
SMILESCc1nc2ccc(F)cc2c(N2CCC(C)CC2)c1CC(=O)O
InChIInChI=1S/C18H21FN2O2/c1-11-5-7-21(8-6-11)18-14(10-17(22)23)12(2)20-16-4-3-13(19)9-15(16)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,23)
InChIKeyALLKAUFFUPHSMZ-UHFFFAOYSA-N
XLogP3.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434107
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432764
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432865
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398914
[(2S)-4-(6-fluoro-2,3-dimethylquinolin-4-yl)morpholin-2-yl]methanol
CID 97309123

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid (CID 110434146) is 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid is Cc1nc2ccc(F)cc2c(N2CCC(C)CC2)c1CC(=O)O.
What is the InChIKey of 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid?
The InChIKey is ALLKAUFFUPHSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11-5-7-21(8-6-11)18-14(10-17(22)23)12(2)20-16-4-3-13(19)9-15(16)18/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid?
2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid is sourced from PubChem (CID 110434146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).