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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).