1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine

C21H24N4O — CID 22502740

IUPAC1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cnccc23)CC1
InChIInChI=1S/C21H24N4O/c1-3-24-10-12-25(13-11-24)21-19-8-9-22-15-17(19)14-20(23-21)16-4-6-18(26-2)7-5-16/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyMAKXEUBFFHYHMM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine

1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine (PubChem CID 22502740) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine
PubChem CID22502740
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cnccc23)CC1
InChIInChI=1S/C21H24N4O/c1-3-24-10-12-25(13-11-24)21-19-8-9-22-15-17(19)14-20(23-21)16-4-6-18(26-2)7-5-16/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyMAKXEUBFFHYHMM-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine (CID 22502740) is 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine is CCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cnccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine?
The InChIKey is MAKXEUBFFHYHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-24-10-12-25(13-11-24)21-19-8-9-22-15-17(19)14-20(23-21)16-4-6-18(26-2)7-5-16/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine?
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine has a molecular weight of 348.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine is sourced from PubChem (CID 22502740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).