8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one

C16H18BrN3O2 — CID 124587988

IUPAC8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCN[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1
InChIInChI=1S/C16H18BrN3O2/c1-18-10-4-3-7-20(9-10)16(22)12-8-14(21)19-15-11(12)5-2-6-13(15)17/h2,5-6,8,10,18H,3-4,7,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyQNGQEVHKQJXQBK-JTQLQIEISA-N
MW364.24 g/mol
LogP2.11
Rot. Bonds2

About 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one

8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 124587988) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID124587988
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCN[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1
InChIInChI=1S/C16H18BrN3O2/c1-18-10-4-3-7-20(9-10)16(22)12-8-14(21)19-15-11(12)5-2-6-13(15)17/h2,5-6,8,10,18H,3-4,7,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyQNGQEVHKQJXQBK-JTQLQIEISA-N
XLogP2.11
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-4-[3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119493998
4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one
CID 119377002
4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one
CID 124612144
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674
4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119492199
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787
(2,5-dibromothiophen-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492230
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one (CID 124587988) is 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one is CN[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1.
What is the InChIKey of 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is QNGQEVHKQJXQBK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-18-10-4-3-7-20(9-10)16(22)12-8-14(21)19-15-11(12)5-2-6-13(15)17/h2,5-6,8,10,18H,3-4,7,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one?
8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 364.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 124587988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).