4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline

C15H18ClN3 — CID 61256156

IUPAC4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cc(CCl)c3ccccc3n2)CC1
InChIInChI=1S/C15H18ClN3/c1-18-6-8-19(9-7-18)15-10-12(11-16)13-4-2-3-5-14(13)17-15/h2-5,10H,6-9,11H2,1H3
InChIKeyYGPZLTSPJMZVCZ-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.73
Rot. Bonds2

About 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline

4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline (PubChem CID 61256156) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline
PubChem CID61256156
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cc(CCl)c3ccccc3n2)CC1
InChIInChI=1S/C15H18ClN3/c1-18-6-8-19(9-7-18)15-10-12(11-16)13-4-2-3-5-14(13)17-15/h2-5,10H,6-9,11H2,1H3
InChIKeyYGPZLTSPJMZVCZ-UHFFFAOYSA-N
XLogP2.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.73
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 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline (CID 61256156) is 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline is CN1CCN(c2cc(CCl)c3ccccc3n2)CC1.
What is the InChIKey of 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is YGPZLTSPJMZVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-18-6-8-19(9-7-18)15-10-12(11-16)13-4-2-3-5-14(13)17-15/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline?
4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 275.78 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 61256156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).