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

C23H27N3O2 — CID 22503036

IUPAC1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)c(OC)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-4-25-13-15-26(16-14-25)23-20-8-6-5-7-19(20)22(28-3)21(24-23)17-9-11-18(27-2)12-10-17/h5-12H,4,13-16H2,1-3H3
InChIKeyPWUPFNRCBCAAIU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.06
Rot. Bonds5

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

1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline (PubChem CID 22503036) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
PubChem CID22503036
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)c(OC)c3ccccc23)CC1
InChIInChI=1S/C23H27N3O2/c1-4-25-13-15-26(16-14-25)23-20-8-6-5-7-19(20)22(28-3)21(24-23)17-9-11-18(27-2)12-10-17/h5-12H,4,13-16H2,1-3H3
InChIKeyPWUPFNRCBCAAIU-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline (CID 22503036) is 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline is CCN1CCN(c2nc(-c3ccc(OC)cc3)c(OC)c3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline?
The InChIKey is PWUPFNRCBCAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-25-13-15-26(16-14-25)23-20-8-6-5-7-19(20)22(28-3)21(24-23)17-9-11-18(27-2)12-10-17/h5-12H,4,13-16H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline?
1-(4-ethylpiperazin-1-yl)-4-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)-4-methoxy-3-(4-methoxyphenyl)isoquinoline is sourced from PubChem (CID 22503036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).