1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline

C16H21N3O — CID 106542356

IUPAC1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
SMILESCCC1CNCCN1c1nccc2cc(OC)ccc12
InChIInChI=1S/C16H21N3O/c1-3-13-11-17-8-9-19(13)16-15-5-4-14(20-2)10-12(15)6-7-18-16/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyLBEIJPGJYGNLJZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline

1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline (PubChem CID 106542356) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline.

Molecular Properties

Compound Name1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
PubChem CID106542356
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
SMILESCCC1CNCCN1c1nccc2cc(OC)ccc12
InChIInChI=1S/C16H21N3O/c1-3-13-11-17-8-9-19(13)16-15-5-4-14(20-2)10-12(15)6-7-18-16/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyLBEIJPGJYGNLJZ-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
1-[2-(chloromethyl)azepan-1-yl]-6-methoxyisoquinoline
CID 106543197
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136989767
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
CID 63600954
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
CID 106673213
1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
CID 106543680
4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66327162
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
1-(2,5-diethoxyphenyl)-2-ethylpiperazine
CID 64937870

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
The IUPAC name of 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline (CID 106542356) is 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline.
What is the SMILES notation for 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
The canonical SMILES for 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline is CCC1CNCCN1c1nccc2cc(OC)ccc12.
What is the InChIKey of 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
The InChIKey is LBEIJPGJYGNLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13-11-17-8-9-19(13)16-15-5-4-14(20-2)10-12(15)6-7-18-16/h4-7,10,13,17H,3,8-9,11H2,1-2H3.
What are the key properties of 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline?
1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline has a molecular weight of 271.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline is sourced from PubChem (CID 106542356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).