1-ethyl-7-methoxyisoquinoline

C12H13NO — CID 119092688

IUPAC1-ethyl-7-methoxyisoquinoline
SMILESCCc1nccc2ccc(OC)cc12
InChIInChI=1S/C12H13NO/c1-3-12-11-8-10(14-2)5-4-9(11)6-7-13-12/h4-8H,3H2,1-2H3
InChIKeyUPWSMGFUXLZJFY-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.81
Rot. Bonds2

About 1-ethyl-7-methoxyisoquinoline

1-ethyl-7-methoxyisoquinoline (PubChem CID 119092688) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-ethyl-7-methoxyisoquinoline.

Molecular Properties

Compound Name1-ethyl-7-methoxyisoquinoline
PubChem CID119092688
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-ethyl-7-methoxyisoquinoline
SMILESCCc1nccc2ccc(OC)cc12
InChIInChI=1S/C12H13NO/c1-3-12-11-8-10(14-2)5-4-9(11)6-7-13-12/h4-8H,3H2,1-2H3
InChIKeyUPWSMGFUXLZJFY-UHFFFAOYSA-N
XLogP2.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-methoxyisoquinolin-1-yl)propanenitrile
CID 116995323
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
7-methoxyisoquinoline-1-sulfonamide
CID 106541871
7-methoxy-1-phenylisoquinoline
CID 86087026
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxyisoquinoline?
The IUPAC name of 1-ethyl-7-methoxyisoquinoline (CID 119092688) is 1-ethyl-7-methoxyisoquinoline.
What is the SMILES notation for 1-ethyl-7-methoxyisoquinoline?
The canonical SMILES for 1-ethyl-7-methoxyisoquinoline is CCc1nccc2ccc(OC)cc12.
What is the InChIKey of 1-ethyl-7-methoxyisoquinoline?
The InChIKey is UPWSMGFUXLZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-12-11-8-10(14-2)5-4-9(11)6-7-13-12/h4-8H,3H2,1-2H3.
What are the key properties of 1-ethyl-7-methoxyisoquinoline?
1-ethyl-7-methoxyisoquinoline has a molecular weight of 187.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxyisoquinoline is sourced from PubChem (CID 119092688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).