1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one

C17H20ClN3O — CID 131907640

IUPAC1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one
SMILESCc1cc(NCCN2CCCCC2=O)nc2ccc(Cl)cc12
InChIInChI=1S/C17H20ClN3O/c1-12-10-16(20-15-6-5-13(18)11-14(12)15)19-7-9-21-8-3-2-4-17(21)22/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)
InChIKeySCQQJJUKDFKUDO-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one

1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one (PubChem CID 131907640) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one
PubChem CID131907640
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one
SMILESCc1cc(NCCN2CCCCC2=O)nc2ccc(Cl)cc12
InChIInChI=1S/C17H20ClN3O/c1-12-10-16(20-15-6-5-13(18)11-14(12)15)19-7-9-21-8-3-2-4-17(21)22/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20)
InChIKeySCQQJJUKDFKUDO-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethyl]piperidin-2-one
CID 131940721
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one
CID 131945132
1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one
CID 131894861
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117089388
6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile
CID 133310077
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine
CID 871628
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
4-chloro-2-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46521635
1-[3-(4-chloro-2-methylphenoxy)propyl]pyrrolidin-2-one
CID 94695701

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one (CID 131907640) is 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one is Cc1cc(NCCN2CCCCC2=O)nc2ccc(Cl)cc12.
What is the InChIKey of 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one?
The InChIKey is SCQQJJUKDFKUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-10-16(20-15-6-5-13(18)11-14(12)15)19-7-9-21-8-3-2-4-17(21)22/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one?
1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one has a molecular weight of 317.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one is sourced from PubChem (CID 131907640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).