1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline

C16H21N3O — CID 106542352

IUPAC1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
SMILESCCC1CNCCN1c1nccc2ccc(OC)cc12
InChIInChI=1S/C16H21N3O/c1-3-13-11-17-8-9-19(13)16-15-10-14(20-2)5-4-12(15)6-7-18-16/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyWDEJHBIXOYWHTG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline

1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline (PubChem CID 106542352) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline.

Molecular Properties

Compound Name1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
PubChem CID106542352
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
SMILESCCC1CNCCN1c1nccc2ccc(OC)cc12
InChIInChI=1S/C16H21N3O/c1-3-13-11-17-8-9-19(13)16-15-10-14(20-2)5-4-12(15)6-7-18-16/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyWDEJHBIXOYWHTG-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)-6-methoxyisoquinoline
CID 106542356
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136989767
1-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-methoxyisoquinoline
CID 25180239
1-(3-bromo-2-pyridinyl)-2-ethylpiperazine
CID 63600954
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66327162
[1-(7-methoxyisoquinolin-1-yl)piperidin-4-yl]methanamine
CID 106536607

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline?
The IUPAC name of 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline (CID 106542352) is 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline.
What is the SMILES notation for 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline?
The canonical SMILES for 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline is CCC1CNCCN1c1nccc2ccc(OC)cc12.
What is the InChIKey of 1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline?
The InChIKey is WDEJHBIXOYWHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13-11-17-8-9-19(13)16-15-10-14(20-2)5-4-12(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)-7-methoxyisoquinoline?
1-(2-ethylpiperazin-1-yl)-7-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)-7-methoxyisoquinoline is sourced from PubChem (CID 106542352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).