4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline

C25H31N3O2 — CID 71734203

IUPAC4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline
SMILESCCCOc1ccc(-c2cc(OCCN3CCN(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H31N3O2/c1-3-17-29-21-10-8-20(9-11-21)24-19-25(22-6-4-5-7-23(22)26-24)30-18-16-28-14-12-27(2)13-15-28/h4-11,19H,3,12-18H2,1-2H3
InChIKeyUMSINTKYESFRGS-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.32
Rot. Bonds8

About 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline

4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline (PubChem CID 71734203) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline
PubChem CID71734203
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline
SMILESCCCOc1ccc(-c2cc(OCCN3CCN(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H31N3O2/c1-3-17-29-21-10-8-20(9-11-21)24-19-25(22-6-4-5-7-23(22)26-24)30-18-16-28-14-12-27(2)13-15-28/h4-11,19H,3,12-18H2,1-2H3
InChIKeyUMSINTKYESFRGS-UHFFFAOYSA-N
XLogP4.32
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline (CID 71734203) is 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline is CCCOc1ccc(-c2cc(OCCN3CCN(C)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline?
The InChIKey is UMSINTKYESFRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-3-17-29-21-10-8-20(9-11-21)24-19-25(22-6-4-5-7-23(22)26-24)30-18-16-28-14-12-27(2)13-15-28/h4-11,19H,3,12-18H2,1-2H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline?
4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline has a molecular weight of 405.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(4-propoxyphenyl)quinoline is sourced from PubChem (CID 71734203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).