6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide

C15H16BrN3O2 — CID 119388268

IUPAC6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H16BrN3O2/c16-9-1-2-13-11(7-9)12(8-14(20)19-13)15(21)18-10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,21)(H,19,20)
InChIKeyDZVGEJMFFIHMKA-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.77
Rot. Bonds2

About 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide

6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide (PubChem CID 119388268) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
PubChem CID119388268
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H16BrN3O2/c16-9-1-2-13-11(7-9)12(8-14(20)19-13)15(21)18-10-3-5-17-6-4-10/h1-2,7-8,10,17H,3-6H2,(H,18,21)(H,19,20)
InChIKeyDZVGEJMFFIHMKA-UHFFFAOYSA-N
XLogP1.77
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 119934390
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
CID 119427244
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide (CID 119388268) is 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide is O=C(NC1CCNCC1)c1cc(=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
The InChIKey is DZVGEJMFFIHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-9-1-2-13-11(7-9)12(8-14(20)19-13)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 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide?
6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119388268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).