7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide

C15H16FN3O2 — CID 119387295

IUPAC7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16FN3O2/c16-9-1-2-11-12(8-14(20)19-13(11)7-9)15(21)18-10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,21)(H,19,20)
InChIKeyLPQNLANLYXTDJT-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.15
Rot. Bonds2

About 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide (PubChem CID 119387295) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
PubChem CID119387295
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16FN3O2/c16-9-1-2-11-12(8-14(20)19-13(11)7-9)15(21)18-10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,21)(H,19,20)
InChIKeyLPQNLANLYXTDJT-UHFFFAOYSA-N
XLogP1.15
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675306
6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119388268
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 111696910
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 136514268
N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 155496257
7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 121495129
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide (CID 119387295) is 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide is O=C(NC1CCNCC1)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
The InChIKey is LPQNLANLYXTDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-9-1-2-11-12(8-14(20)19-13(11)7-9)15(21)18-10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,21)(H,19,20).
What are the key properties of 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119387295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).