1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline

C19H25N3O — CID 71070118

IUPAC1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline
SMILESCCN1CCN(c2nc(C3CCCO3)cc3ccccc23)CC1
InChIInChI=1S/C19H25N3O/c1-2-21-9-11-22(12-10-21)19-16-7-4-3-6-15(16)14-17(20-19)18-8-5-13-23-18/h3-4,6-7,14,18H,2,5,8-13H2,1H3
InChIKeyUKVZIDOJIUBZIR-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline

1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline (PubChem CID 71070118) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline
PubChem CID71070118
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline
SMILESCCN1CCN(c2nc(C3CCCO3)cc3ccccc23)CC1
InChIInChI=1S/C19H25N3O/c1-2-21-9-11-22(12-10-21)19-16-7-4-3-6-15(16)14-17(20-19)18-8-5-13-23-18/h3-4,6-7,14,18H,2,5,8-13H2,1H3
InChIKeyUKVZIDOJIUBZIR-UHFFFAOYSA-N
XLogP3.23
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]piperidin-4-ol;trihydrochloride
CID 22502772
3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-methoxyphenol
CID 91296742
CID 87725639
CID 87725639
2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]cyclohexan-1-ol
CID 22503435
1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-2-ylethenyl)isoquinoline
CID 69179676
1-(4-ethylpiperazin-1-yl)-3-(2,4,5-trimethoxyphenyl)isoquinoline
CID 22503277
1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline;dihydrochloride
CID 22502737
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-pyridin-2-ylethenyl]isoquinoline;trihydrochloride
CID 22503554
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(6-piperidin-1-yl-2-pyridinyl)ethenyl]isoquinoline
CID 71070053
1-[3-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol
CID 18325819
3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline;dihydrochloride
CID 22502852
1-(4-ethylpiperazin-1-yl)-3-(2-pyridin-4-ylethenyl)isoquinoline
CID 69182639

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline (CID 71070118) is 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline is CCN1CCN(c2nc(C3CCCO3)cc3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline?
The InChIKey is UKVZIDOJIUBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-21-9-11-22(12-10-21)19-16-7-4-3-6-15(16)14-17(20-19)18-8-5-13-23-18/h3-4,6-7,14,18H,2,5,8-13H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline?
1-(4-ethylpiperazin-1-yl)-3-(oxolan-2-yl)isoquinoline has a molecular weight of 311.43 g/mol, XLogP of 3.23, 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)-3-(oxolan-2-yl)isoquinoline is sourced from PubChem (CID 71070118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).