2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid

C22H22FN3O2 — CID 141344825

IUPAC2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid
SMILESCN(c1cc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C22H22FN3O2/c1-26(18-8-10-24-11-9-18)20-13-16-12-15(22(27)28)4-7-19(16)25-21(20)14-2-5-17(23)6-3-14/h2-7,12-13,18,24H,8-11H2,1H3,(H,27,28)
InChIKeyYUOBZRPGNJOAPY-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid

2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid (PubChem CID 141344825) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid
PubChem CID141344825
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid
SMILESCN(c1cc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C22H22FN3O2/c1-26(18-8-10-24-11-9-18)20-13-16-12-15(22(27)28)4-7-19(16)25-21(20)14-2-5-17(23)6-3-14/h2-7,12-13,18,24H,8-11H2,1H3,(H,27,28)
InChIKeyYUOBZRPGNJOAPY-UHFFFAOYSA-N
XLogP3.93
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid (CID 141344825) is 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid is CN(c1cc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid?
The InChIKey is YUOBZRPGNJOAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-26(18-8-10-24-11-9-18)20-13-16-12-15(22(27)28)4-7-19(16)25-21(20)14-2-5-17(23)6-3-14/h2-7,12-13,18,24H,8-11H2,1H3,(H,27,28).
What are the key properties of 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid?
2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid has a molecular weight of 379.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[methyl(piperidin-4-yl)amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 141344825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).