4-(3-chloropropyl)-2-piperazin-1-ylquinoline

C16H20ClN3 — CID 3080999

IUPAC4-(3-chloropropyl)-2-piperazin-1-ylquinoline
SMILESClCCCc1cc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C16H20ClN3/c17-7-3-4-13-12-16(20-10-8-18-9-11-20)19-15-6-2-1-5-14(13)15/h1-2,5-6,12,18H,3-4,7-11H2
InChIKeyLVTXJSCORTYVAU-UHFFFAOYSA-N
MW289.81 g/mol
LogP2.82
Rot. Bonds4

About 4-(3-chloropropyl)-2-piperazin-1-ylquinoline

4-(3-chloropropyl)-2-piperazin-1-ylquinoline (PubChem CID 3080999) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name4-(3-chloropropyl)-2-piperazin-1-ylquinoline
PubChem CID3080999
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-(3-chloropropyl)-2-piperazin-1-ylquinoline
SMILESClCCCc1cc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C16H20ClN3/c17-7-3-4-13-12-16(20-10-8-18-9-11-20)19-15-6-2-1-5-14(13)15/h1-2,5-6,12,18H,3-4,7-11H2
InChIKeyLVTXJSCORTYVAU-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
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 4-(3-chloropropyl)-2-piperazin-1-ylquinoline?
The IUPAC name of 4-(3-chloropropyl)-2-piperazin-1-ylquinoline (CID 3080999) is 4-(3-chloropropyl)-2-piperazin-1-ylquinoline.
What is the SMILES notation for 4-(3-chloropropyl)-2-piperazin-1-ylquinoline?
The canonical SMILES for 4-(3-chloropropyl)-2-piperazin-1-ylquinoline is ClCCCc1cc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of 4-(3-chloropropyl)-2-piperazin-1-ylquinoline?
The InChIKey is LVTXJSCORTYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-7-3-4-13-12-16(20-10-8-18-9-11-20)19-15-6-2-1-5-14(13)15/h1-2,5-6,12,18H,3-4,7-11H2.
What are the key properties of 4-(3-chloropropyl)-2-piperazin-1-ylquinoline?
4-(3-chloropropyl)-2-piperazin-1-ylquinoline has a molecular weight of 289.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2-piperazin-1-ylquinoline is sourced from PubChem (CID 3080999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).