1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride

C20H24ClN3S — CID 90681589

IUPAC1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3cccs3)cc3cc(C)ccc23)CC1.Cl
InChIInChI=1S/C20H23N3S.ClH/c1-3-22-8-10-23(11-9-22)20-17-7-6-15(2)13-16(17)14-18(21-20)19-5-4-12-24-19;/h4-7,12-14H,3,8-11H2,1-2H3;1H
InChIKeyYWDWYODCFDQTPD-UHFFFAOYSA-N
MW373.95 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride

1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride (PubChem CID 90681589) has the molecular formula C20H24ClN3S and a molecular weight of 373.95 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride
PubChem CID90681589
Molecular FormulaC20H24ClN3S
Molecular Weight373.95 g/mol
Exact Mass373.14
IUPAC Name1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride
SMILESCCN1CCN(c2nc(-c3cccs3)cc3cc(C)ccc23)CC1.Cl
InChIInChI=1S/C20H23N3S.ClH/c1-3-22-8-10-23(11-9-22)20-17-7-6-15(2)13-16(17)14-18(21-20)19-5-4-12-24-19;/h4-7,12-14H,3,8-11H2,1-2H3;1H
InChIKeyYWDWYODCFDQTPD-UHFFFAOYSA-N
XLogP4.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
CID 90681590
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline;dihydrochloride
CID 22502852
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
1-(4-ethylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)isoquinoline
CID 22503277
1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]piperidin-4-ol;trihydrochloride
CID 22502772
1-(4-ethylpiperazin-1-yl)-7-methoxy-3-phenylisoquinoline;dihydrochloride
CID 22503110
2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine
CID 155514521
4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride
CID 22502727
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
3-(4-ethylpiperazin-1-yl)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552543
N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide;hydrochloride
CID 22503347

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride (CID 90681589) is 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride is CCN1CCN(c2nc(-c3cccs3)cc3cc(C)ccc23)CC1.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride?
The InChIKey is YWDWYODCFDQTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S.ClH/c1-3-22-8-10-23(11-9-22)20-17-7-6-15(2)13-16(17)14-18(21-20)19-5-4-12-24-19;/h4-7,12-14H,3,8-11H2,1-2H3;1H.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride?
1-(4-ethylpiperazin-1-yl)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride has a molecular weight of 373.95 g/mol, XLogP of 4.84, 3 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)-6-methyl-3-thiophen-2-ylisoquinoline;hydrochloride is sourced from PubChem (CID 90681589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).