7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride

C15H18Cl3N3 — CID 23723196

IUPAC7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride
SMILESCl.ClCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H17Cl2N3.ClH/c16-4-6-19-7-9-20(10-8-19)15-3-5-18-14-11-12(17)1-2-13(14)15;/h1-3,5,11H,4,6-10H2;1H
InChIKeyZUJAQNUKNAPWQG-UHFFFAOYSA-N
MW346.69 g/mol
LogP3.67
Rot. Bonds3

About 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride

7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride (PubChem CID 23723196) has the molecular formula C15H18Cl3N3 and a molecular weight of 346.69 g/mol. Its IUPAC name is 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride.

Molecular Properties

Compound Name7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride
PubChem CID23723196
Molecular FormulaC15H18Cl3N3
Molecular Weight346.69 g/mol
Exact Mass345.06
IUPAC Name7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride
SMILESCl.ClCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H17Cl2N3.ClH/c16-4-6-19-7-9-20(10-8-19)15-3-5-18-14-11-12(17)1-2-13(14)15;/h1-3,5,11H,4,6-10H2;1H
InChIKeyZUJAQNUKNAPWQG-UHFFFAOYSA-N
XLogP3.67
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride?
The IUPAC name of 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride (CID 23723196) is 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride.
What is the SMILES notation for 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride?
The canonical SMILES for 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride is Cl.ClCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride?
The InChIKey is ZUJAQNUKNAPWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3.ClH/c16-4-6-19-7-9-20(10-8-19)15-3-5-18-14-11-12(17)1-2-13(14)15;/h1-3,5,11H,4,6-10H2;1H.
What are the key properties of 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride?
7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride has a molecular weight of 346.69 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(2-chloroethyl)piperazin-1-yl]quinoline;hydrochloride is sourced from PubChem (CID 23723196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).