(6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one

C15H16ClN3O — CID 167945217

IUPAC(6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one
SMILESO=C1CCC[C@H](CNc2ccnc3c(Cl)cccc23)N1
InChIInChI=1S/C15H16ClN3O/c16-12-5-2-4-11-13(7-8-17-15(11)12)18-9-10-3-1-6-14(20)19-10/h2,4-5,7-8,10H,1,3,6,9H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyOSVPGELOJJVBQR-SNVBAGLBSA-N
MW289.77 g/mol
LogP2.97
Rot. Bonds3

About (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one

(6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one (PubChem CID 167945217) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one
PubChem CID167945217
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one
SMILESO=C1CCC[C@H](CNc2ccnc3c(Cl)cccc23)N1
InChIInChI=1S/C15H16ClN3O/c16-12-5-2-4-11-13(7-8-17-15(11)12)18-9-10-3-1-6-14(20)19-10/h2,4-5,7-8,10H,1,3,6,9H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyOSVPGELOJJVBQR-SNVBAGLBSA-N
XLogP2.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one?
The IUPAC name of (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one (CID 167945217) is (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one is O=C1CCC[C@H](CNc2ccnc3c(Cl)cccc23)N1.
What is the InChIKey of (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one?
The InChIKey is OSVPGELOJJVBQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-5-2-4-11-13(7-8-17-15(11)12)18-9-10-3-1-6-14(20)19-10/h2,4-5,7-8,10H,1,3,6,9H2,(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one?
(6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one has a molecular weight of 289.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[(8-chloroquinolin-4-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 167945217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).