4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline

C18H25N2O+ — CID 5186349

IUPAC4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline
SMILESCc1cc(OCC[N+]2(C)CCCCC2)nc2ccccc12
InChIInChI=1S/C18H25N2O/c1-15-14-18(19-17-9-5-4-8-16(15)17)21-13-12-20(2)10-6-3-7-11-20/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/q+1
InChIKeyJYGPFQWILDYGRX-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.55
Rot. Bonds4

About 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline

4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline (PubChem CID 5186349) has the molecular formula C18H25N2O+ and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline.

Molecular Properties

Compound Name4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline
PubChem CID5186349
Molecular FormulaC18H25N2O+
Molecular Weight285.41 g/mol
Exact Mass285.20
IUPAC Name4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline
SMILESCc1cc(OCC[N+]2(C)CCCCC2)nc2ccccc12
InChIInChI=1S/C18H25N2O/c1-15-14-18(19-17-9-5-4-8-16(15)17)21-13-12-20(2)10-6-3-7-11-20/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/q+1
InChIKeyJYGPFQWILDYGRX-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline?
The IUPAC name of 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline (CID 5186349) is 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline.
What is the SMILES notation for 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline?
The canonical SMILES for 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline is Cc1cc(OCC[N+]2(C)CCCCC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline?
The InChIKey is JYGPFQWILDYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O/c1-15-14-18(19-17-9-5-4-8-16(15)17)21-13-12-20(2)10-6-3-7-11-20/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/q+1.
What are the key properties of 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline?
4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline has a molecular weight of 285.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline is sourced from PubChem (CID 5186349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).