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

C16H18ClN3 — CID 11279886

IUPAC6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline
SMILESClc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C16H18ClN3/c17-13-2-5-15-12(11-13)1-6-16(18-15)20-9-7-19(8-10-20)14-3-4-14/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyUHKZBUYMQGXDPY-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.17
Rot. Bonds2

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

6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline (PubChem CID 11279886) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline
PubChem CID11279886
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline
SMILESClc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C16H18ClN3/c17-13-2-5-15-12(11-13)1-6-16(18-15)20-9-7-19(8-10-20)14-3-4-14/h1-2,5-6,11,14H,3-4,7-10H2
InChIKeyUHKZBUYMQGXDPY-UHFFFAOYSA-N
XLogP3.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline?
The IUPAC name of 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline (CID 11279886) is 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline is Clc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1.
What is the InChIKey of 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline?
The InChIKey is UHKZBUYMQGXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-13-2-5-15-12(11-13)1-6-16(18-15)20-9-7-19(8-10-20)14-3-4-14/h1-2,5-6,11,14H,3-4,7-10H2.
What are the key properties of 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline?
6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline has a molecular weight of 287.79 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-cyclopropylpiperazin-1-yl)quinoline is sourced from PubChem (CID 11279886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).