(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

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

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Related Compounds

[4-(7-Chloroquinolin-4-yl)piperazino](cyclobutyl)methanone
CID 2823686
4-Amino-8-chloroquinoline
CID 12292890
6-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 155519504
[4-(7-Chloroquinolin-4-yl)piperazino](cyclohexyl)methanone
CID 2823693
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 11454530
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]heptanamide
CID 22641699
N-(7-Chloro-4-quinolyl)-N'-(3-diethylaminopropanoyl)-1,2-diaminoethane
CID 24828279
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(diethylamino)propanamide
CID 24828280
N-(7-Chloro-4-quinolyl)-N'-(3-diethylaminopropanoyl)-1,4-diaminobutane
CID 24828281
N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(diethylamino)propanamide
CID 24828282
N-(7-Chloro-4-quinolyl)-N'-(3-diethylaminopropanoyl)-1,6-diaminohexane
CID 24828413
8-Chloro-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-one
CID 25180299

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).