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

C15H15N3O — CID 106543680

IUPAC1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
SMILESCCc1nccn1-c1nccc2cc(OC)ccc12
InChIInChI=1S/C15H15N3O/c1-3-14-16-8-9-18(14)15-13-5-4-12(19-2)10-11(13)6-7-17-15/h4-10H,3H2,1-2H3
InChIKeyNSIQFBQFVLSCLG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.99
Rot. Bonds3

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

1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline (PubChem CID 106543680) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline.

Molecular Properties

Compound Name1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
PubChem CID106543680
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
SMILESCCc1nccn1-c1nccc2cc(OC)ccc12
InChIInChI=1S/C15H15N3O/c1-3-14-16-8-9-18(14)15-13-5-4-12(19-2)10-11(13)6-7-17-15/h4-10H,3H2,1-2H3
InChIKeyNSIQFBQFVLSCLG-UHFFFAOYSA-N
XLogP2.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
1-(5-methoxyindol-1-yl)isoquinoline
CID 162514100
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
CID 106673213
1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 106542356
1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
CID 106541702
1-ethyl-7-methoxyisoquinoline
CID 119092688
1-[2-(chloromethyl)azepan-1-yl]-6-methoxyisoquinoline
CID 106543197
2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303403
1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine
CID 106541738
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
[2-(2-ethylimidazol-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383215
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline?
The IUPAC name of 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline (CID 106543680) is 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline.
What is the SMILES notation for 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline?
The canonical SMILES for 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline is CCc1nccn1-c1nccc2cc(OC)ccc12.
What is the InChIKey of 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline?
The InChIKey is NSIQFBQFVLSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-14-16-8-9-18(14)15-13-5-4-12(19-2)10-11(13)6-7-17-15/h4-10H,3H2,1-2H3.
What are the key properties of 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline?
1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline has a molecular weight of 253.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline is sourced from PubChem (CID 106543680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).