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

C14H14ClN3O — CID 116785599

IUPAC3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
SMILESNC1CCCN(c2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C14H14ClN3O/c15-10-5-6-12(13-9(10)3-1-7-17-13)18-8-2-4-11(16)14(18)19/h1,3,5-7,11H,2,4,8,16H2
InChIKeyPZVNAGJQWGNXSU-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.34
Rot. Bonds1

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

3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one (PubChem CID 116785599) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
PubChem CID116785599
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
SMILESNC1CCCN(c2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C14H14ClN3O/c15-10-5-6-12(13-9(10)3-1-7-17-13)18-8-2-4-11(16)14(18)19/h1,3,5-7,11H,2,4,8,16H2
InChIKeyPZVNAGJQWGNXSU-UHFFFAOYSA-N
XLogP2.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one
CID 116785595
1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
CID 116785711
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 116783155
(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
CID 11128620
3-amino-1-(2,6-dichloro-4-fluorophenyl)piperidin-2-one
CID 83081282
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
CID 116784923
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 119409930
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one (CID 116785599) is 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one is NC1CCCN(c2ccc(Cl)c3cccnc23)C1=O.
What is the InChIKey of 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one?
The InChIKey is PZVNAGJQWGNXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-5-6-12(13-9(10)3-1-7-17-13)18-8-2-4-11(16)14(18)19/h1,3,5-7,11H,2,4,8,16H2.
What are the key properties of 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one?
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one has a molecular weight of 275.74 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one is sourced from PubChem (CID 116785599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).