6-chloro-2-(4-methylpiperazin-1-yl)quinoline

C14H16ClN3 — CID 12741697

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3
InChIKeyPKWXICSBZZLGCF-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.64
Rot. Bonds1

About 6-chloro-2-(4-methylpiperazin-1-yl)quinoline

6-chloro-2-(4-methylpiperazin-1-yl)quinoline (PubChem CID 12741697) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)quinoline
PubChem CID12741697
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3
InChIKeyPKWXICSBZZLGCF-UHFFFAOYSA-N
XLogP2.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(4-methylpiperazin-1-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)quinoline (CID 12741697) is 6-chloro-2-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)quinoline is CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is PKWXICSBZZLGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-17-6-8-18(9-7-17)14-5-2-11-10-12(15)3-4-13(11)16-14/h2-5,10H,6-9H2,1H3.
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)quinoline?
6-chloro-2-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 261.76 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 12741697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).