1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline

C23H27N3O2 — CID 22503083

IUPAC1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cc(OC)ccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-4-25-11-13-26(14-12-25)23-21-10-9-20(28-3)15-18(21)16-22(24-23)17-5-7-19(27-2)8-6-17/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyFVNWLEIYRDSZHW-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline

1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline (PubChem CID 22503083) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
PubChem CID22503083
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cc(OC)ccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-4-25-11-13-26(14-12-25)23-21-10-9-20(28-3)15-18(21)16-22(24-23)17-5-7-19(27-2)8-6-17/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyFVNWLEIYRDSZHW-UHFFFAOYSA-N
XLogP4.06
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline (CID 22503083) is 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline is CCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cc(OC)ccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline?
The InChIKey is FVNWLEIYRDSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-25-11-13-26(14-12-25)23-21-10-9-20(28-3)15-18(21)16-22(24-23)17-5-7-19(27-2)8-6-17/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline?
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline has a molecular weight of 377.49 g/mol, XLogP of 4.06, 5 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)-6-methoxy-3-(4-methoxyphenyl)isoquinoline is sourced from PubChem (CID 22503083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).