4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one

C15H16BrN3O2 — CID 119377002

IUPAC4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one
SMILESNC1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-2-10-11(8-13(20)18-14(10)12)15(21)19-6-4-9(17)5-7-19/h1-3,8-9H,4-7,17H2,(H,18,20)
InChIKeyURVDMKJEIKOGLU-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.85
Rot. Bonds1

About 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one

4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one (PubChem CID 119377002) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one
PubChem CID119377002
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one
SMILESNC1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-2-10-11(8-13(20)18-14(10)12)15(21)19-6-4-9(17)5-7-19/h1-3,8-9H,4-7,17H2,(H,18,20)
InChIKeyURVDMKJEIKOGLU-UHFFFAOYSA-N
XLogP1.85
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one
CID 124612144
8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124587988
8-bromo-4-[3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119493998
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 119934390
(4-aminopiperidin-1-yl)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119375203
N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119617908
8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119444645
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 119934451
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one?
The IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one (CID 119377002) is 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one?
The canonical SMILES for 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one is NC1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1.
What is the InChIKey of 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one?
The InChIKey is URVDMKJEIKOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-12-3-1-2-10-11(8-13(20)18-14(10)12)15(21)19-6-4-9(17)5-7-19/h1-3,8-9H,4-7,17H2,(H,18,20).
What are the key properties of 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one?
4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one has a molecular weight of 350.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one is sourced from PubChem (CID 119377002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).