1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline

C16H21N3O — CID 23155942

IUPAC1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
SMILESCCN1CCN(c2nccc3cc(OC)ccc23)CC1
InChIInChI=1S/C16H21N3O/c1-3-18-8-10-19(11-9-18)16-15-5-4-14(20-2)12-13(15)6-7-17-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyGXSLTQCBBJBRQE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline

1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline (PubChem CID 23155942) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
PubChem CID23155942
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
SMILESCCN1CCN(c2nccc3cc(OC)ccc23)CC1
InChIInChI=1S/C16H21N3O/c1-3-18-8-10-19(11-9-18)16-15-5-4-14(20-2)12-13(15)6-7-17-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyGXSLTQCBBJBRQE-UHFFFAOYSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
CID 106673213
1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
CID 106543680
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
1-(4-ethylpiperazin-1-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline;dihydrochloride
CID 22503021
1-(4-ethylpiperazin-1-yl)-7-methoxy-3-phenylisoquinoline;dihydrochloride
CID 22503110
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)-2,6-naphthyridine
CID 22502740
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607
4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
CID 110434217
1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 106542356
1-(4-ethyl-1,4-diazepan-1-yl)-3-(4-methoxyphenyl)isoquinoline;dihydrochloride
CID 22502737
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline (CID 23155942) is 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline is CCN1CCN(c2nccc3cc(OC)ccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
The InChIKey is GXSLTQCBBJBRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-18-8-10-19(11-9-18)16-15-5-4-14(20-2)12-13(15)6-7-17-16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline has a molecular weight of 271.36 g/mol, XLogP of 2.39, 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-methoxyisoquinoline is sourced from PubChem (CID 23155942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).