8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid

C17H19FN2O3 — CID 94947485

IUPAC8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(ccc(=O)n2CCN2CCCCC2)c1
InChIInChI=1S/C17H19FN2O3/c18-14-11-13(17(22)23)10-12-4-5-15(21)20(16(12)14)9-8-19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,22,23)
InChIKeyCWKRYVCMKYICFI-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.32
Rot. Bonds4

About 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid

8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid (PubChem CID 94947485) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
PubChem CID94947485
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(ccc(=O)n2CCN2CCCCC2)c1
InChIInChI=1S/C17H19FN2O3/c18-14-11-13(17(22)23)10-12-4-5-15(21)20(16(12)14)9-8-19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,22,23)
InChIKeyCWKRYVCMKYICFI-UHFFFAOYSA-N
XLogP2.32
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Piperidin-1-yl)benzoic acid
CID 764599
4-(4-Methylpiperazin-1-yl)benzoic acid
CID 736532
3-[(dipentylamino)methyl]-4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
CID 146313859
4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-[[methyl(pentyl)amino]methyl]benzoic acid
CID 146313955
4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]-3-(piperidin-1-ylmethyl)benzoic acid
CID 146314030
4-(4-Methyl-1-piperidinyl)benzoic acid
CID 654809
4-[Acetyl(benzyl)amino]benzoic acid
CID 660409
7-Fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 43453281
1-(4-Fluorobenzyl)-2-oxo-5-indolinecarboxylic acid
CID 90488080
8-Fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dimethylphenanthridin-6-one
CID 145951022
5-Butyl-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenanthridin-6-one
CID 46866594
5-Hexyl-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenanthridin-6-one
CID 46886034

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
The IUPAC name of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid (CID 94947485) is 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
The canonical SMILES for 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid is O=C(O)c1cc(F)c2c(ccc(=O)n2CCN2CCCCC2)c1.
What is the InChIKey of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
The InChIKey is CWKRYVCMKYICFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-14-11-13(17(22)23)10-12-4-5-15(21)20(16(12)14)9-8-19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,22,23).
What are the key properties of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 94947485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).