1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride

C24H29Cl2N3O — CID 22503021

IUPAC1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride
SMILESCCN1CCN(c2nc(/C=C/c3ccc(OC)cc3)cc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C24H27N3O.2ClH/c1-3-26-14-16-27(17-15-26)24-23-7-5-4-6-20(23)18-21(25-24)11-8-19-9-12-22(28-2)13-10-19;;/h4-13,18H,3,14-17H2,1-2H3;2*1H/b11-8+;;
InChIKeyAPZAQOCWWIMJFK-OHENRDTHSA-N
MW446.42 g/mol
LogP5.40
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride

1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride (PubChem CID 22503021) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride
PubChem CID22503021
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride
SMILESCCN1CCN(c2nc(/C=C/c3ccc(OC)cc3)cc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C24H27N3O.2ClH/c1-3-26-14-16-27(17-15-26)24-23-7-5-4-6-20(23)18-21(25-24)11-8-19-9-12-22(28-2)13-10-19;;/h4-13,18H,3,14-17H2,1-2H3;2*1H/b11-8+;;
InChIKeyAPZAQOCWWIMJFK-OHENRDTHSA-N
XLogP5.40
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline
CID 69182639
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-pyridin-2-ylethenyl]isoquinoline;trihydrochloride
CID 22503554
1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-2-ylethenyl)isoquinoline
CID 69179676
1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline;dihydrochloride
CID 22502737
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(6-piperidin-1-yl-2-pyridinyl)ethenyl]isoquinoline
CID 71070053
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(2-methylsulfonylphenyl)ethenyl]isoquinoline
CID 22502898
4-[5-[(E)-2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethenyl]-2-pyridinyl]morpholine;oxalic acid
CID 22502855
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
1-(4-ethylpiperazin-1-yl)-7-methoxy-3-phenylisoquinoline;dihydrochloride
CID 22503110
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline;dihydrochloride
CID 22502852
1-(4-ethylpiperazin-1-yl)-3-[1-(4-methoxyphenyl)ethenyl]isoquinoline;oxalic acid
CID 22503363
1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503036

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride (CID 22503021) is 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride is CCN1CCN(c2nc(/C=C/c3ccc(OC)cc3)cc3ccccc23)CC1.Cl.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride?
The InChIKey is APZAQOCWWIMJFK-OHENRDTHSA-N. The full InChI is InChI=1S/C24H27N3O.2ClH/c1-3-26-14-16-27(17-15-26)24-23-7-5-4-6-20(23)18-21(25-24)11-8-19-9-12-22(28-2)13-10-19;;/h4-13,18H,3,14-17H2,1-2H3;2*1H/b11-8+;;.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride?
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride has a molecular weight of 446.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride is sourced from PubChem (CID 22503021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).