7-chloro-4-piperazin-1-ylquinoline

C13H14ClN3 — CID 738389

IUPAC7-chloro-4-piperazin-1-ylquinoline
SMILESClc1ccc2c(N3CCNCC3)ccnc2c1
InChIInChI=1S/C13H14ClN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKeyDNXNPMDUDGUXOB-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.30
Rot. Bonds1

About 7-chloro-4-piperazin-1-ylquinoline

7-chloro-4-piperazin-1-ylquinoline (PubChem CID 738389) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 7-chloro-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name7-chloro-4-piperazin-1-ylquinoline
PubChem CID738389
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name7-chloro-4-piperazin-1-ylquinoline
SMILESClc1ccc2c(N3CCNCC3)ccnc2c1
InChIInChI=1S/C13H14ClN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKeyDNXNPMDUDGUXOB-UHFFFAOYSA-N
XLogP2.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-piperazin-1-ylquinoline?
The IUPAC name of 7-chloro-4-piperazin-1-ylquinoline (CID 738389) is 7-chloro-4-piperazin-1-ylquinoline.
What is the SMILES notation for 7-chloro-4-piperazin-1-ylquinoline?
The canonical SMILES for 7-chloro-4-piperazin-1-ylquinoline is Clc1ccc2c(N3CCNCC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-piperazin-1-ylquinoline?
The InChIKey is DNXNPMDUDGUXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2.
What are the key properties of 7-chloro-4-piperazin-1-ylquinoline?
7-chloro-4-piperazin-1-ylquinoline has a molecular weight of 247.73 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-piperazin-1-ylquinoline is sourced from PubChem (CID 738389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).