1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline

C22H24N4 — CID 69182639

IUPAC1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline
SMILESCCN1CCN(c2nc(C=Cc3ccncc3)cc3ccccc23)CC1
InChIInChI=1S/C22H24N4/c1-2-25-13-15-26(16-14-25)22-21-6-4-3-5-19(21)17-20(24-22)8-7-18-9-11-23-12-10-18/h3-12,17H,2,13-16H2,1H3
InChIKeyOLJOIOMNCLHRMC-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.94
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline

1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline (PubChem CID 69182639) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline
PubChem CID69182639
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline
SMILESCCN1CCN(c2nc(C=Cc3ccncc3)cc3ccccc23)CC1
InChIInChI=1S/C22H24N4/c1-2-25-13-15-26(16-14-25)22-21-6-4-3-5-19(21)17-20(24-22)8-7-18-9-11-23-12-10-18/h3-12,17H,2,13-16H2,1H3
InChIKeyOLJOIOMNCLHRMC-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-2-ylethenyl)isoquinoline
CID 69179676
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-pyridin-2-ylethenyl]isoquinoline;trihydrochloride
CID 22503554
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride
CID 22503021
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)-3-(2,4,5-trimethoxyphenyl)isoquinoline
CID 22503277
1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline
CID 71070118
3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-methoxyphenol
CID 91296742
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline;dihydrochloride
CID 22502852
CID 87725639
CID 87725639
1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline;dihydrochloride
CID 22502737

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline (CID 69182639) is 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline is CCN1CCN(c2nc(C=Cc3ccncc3)cc3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline?
The InChIKey is OLJOIOMNCLHRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-25-13-15-26(16-14-25)22-21-6-4-3-5-19(21)17-20(24-22)8-7-18-9-11-23-12-10-18/h3-12,17H,2,13-16H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline?
1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline has a molecular weight of 344.46 g/mol, XLogP of 3.94, 4 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-(2-pyridin-4-ylethenyl)isoquinoline is sourced from PubChem (CID 69182639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).