4-(7-chloroquinolin-4-yl)piperazin-2-one

C13H12ClN3O — CID 39847442

IUPAC4-(7-chloroquinolin-4-yl)piperazin-2-one
SMILESO=C1CN(c2ccnc3cc(Cl)ccc23)CCN1
InChIInChI=1S/C13H12ClN3O/c14-9-1-2-10-11(7-9)15-4-3-12(10)17-6-5-16-13(18)8-17/h1-4,7H,5-6,8H2,(H,16,18)
InChIKeyFRAPDBDFRLSSRH-UHFFFAOYSA-N
MW261.71 g/mol
LogP1.82
Rot. Bonds1

About 4-(7-chloroquinolin-4-yl)piperazin-2-one

4-(7-chloroquinolin-4-yl)piperazin-2-one (PubChem CID 39847442) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)piperazin-2-one
PubChem CID39847442
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-(7-chloroquinolin-4-yl)piperazin-2-one
SMILESO=C1CN(c2ccnc3cc(Cl)ccc23)CCN1
InChIInChI=1S/C13H12ClN3O/c14-9-1-2-10-11(7-9)15-4-3-12(10)17-6-5-16-13(18)8-17/h1-4,7H,5-6,8H2,(H,16,18)
InChIKeyFRAPDBDFRLSSRH-UHFFFAOYSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-chloroquinazolin-4-yl)piperazin-2-one
CID 24507988
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
4-(4-chloro-2-fluorophenyl)piperazin-2-one
CID 156503488
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)piperazin-2-one?
The IUPAC name of 4-(7-chloroquinolin-4-yl)piperazin-2-one (CID 39847442) is 4-(7-chloroquinolin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)piperazin-2-one is O=C1CN(c2ccnc3cc(Cl)ccc23)CCN1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)piperazin-2-one?
The InChIKey is FRAPDBDFRLSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-9-1-2-10-11(7-9)15-4-3-12(10)17-6-5-16-13(18)8-17/h1-4,7H,5-6,8H2,(H,16,18).
What are the key properties of 4-(7-chloroquinolin-4-yl)piperazin-2-one?
4-(7-chloroquinolin-4-yl)piperazin-2-one has a molecular weight of 261.71 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)piperazin-2-one is sourced from PubChem (CID 39847442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).