1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one

C15H16ClN3O — CID 116785595

IUPAC1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(c2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C15H16ClN3O/c1-17-12-5-3-9-19(15(12)20)13-7-6-11(16)10-4-2-8-18-14(10)13/h2,4,6-8,12,17H,3,5,9H2,1H3
InChIKeySCLGHSVDSHBNGQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.60
Rot. Bonds2

About 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one

1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one (PubChem CID 116785595) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one
PubChem CID116785595
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(c2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C15H16ClN3O/c1-17-12-5-3-9-19(15(12)20)13-7-6-11(16)10-4-2-8-18-14(10)13/h2,4,6-8,12,17H,3,5,9H2,1H3
InChIKeySCLGHSVDSHBNGQ-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599
1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
CID 116785711
1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
CID 116784923
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 116783155
1-(2-bromo-5-chloro-4-methylphenyl)-3-(methylamino)piperidin-2-one
CID 113445697
1-(2-bromo-4-iodophenyl)-3-(methylamino)piperidin-2-one
CID 114261349
(2S)-1-[(5-chloroquinolin-8-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 95299069
1-(4-chloro-3-nitrophenyl)-3-(methylamino)piperidin-2-one
CID 107812165
3-(methylamino)-1-phenylazepan-2-one
CID 20589821
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
CID 60927567
3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
CID 107590126

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one (CID 116785595) is 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one is CNC1CCCN(c2ccc(Cl)c3cccnc23)C1=O.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one?
The InChIKey is SCLGHSVDSHBNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-12-5-3-9-19(15(12)20)13-7-6-11(16)10-4-2-8-18-14(10)13/h2,4,6-8,12,17H,3,5,9H2,1H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one?
1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one has a molecular weight of 289.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 116785595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).