3-ethoxy-1-phenylisoquinoline

C17H15NO — CID 12856286

IUPAC3-ethoxy-1-phenylisoquinoline
SMILESCCOc1cc2ccccc2c(-c2ccccc2)n1
InChIInChI=1S/C17H15NO/c1-2-19-16-12-14-10-6-7-11-15(14)17(18-16)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyGLXMOXPWYQIPEF-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.30
Rot. Bonds3

About 3-ethoxy-1-phenylisoquinoline

3-ethoxy-1-phenylisoquinoline (PubChem CID 12856286) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-ethoxy-1-phenylisoquinoline.

Molecular Properties

Compound Name3-ethoxy-1-phenylisoquinoline
PubChem CID12856286
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name3-ethoxy-1-phenylisoquinoline
SMILESCCOc1cc2ccccc2c(-c2ccccc2)n1
InChIInChI=1S/C17H15NO/c1-2-19-16-12-14-10-6-7-11-15(14)17(18-16)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyGLXMOXPWYQIPEF-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinisocaine
CID 6857
Moxaverine
CID 70882
Dimethisoquin Hydrochloride
CID 9883104
4-Methoxy-2-Phenylquinoline
CID 826247
2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
(2E)-3-(2-propoxyquinolin-3-yl)prop-2-enoic acid
CID 2451326
6-Ethoxy-2-methylquinoline
CID 81118
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
5-Methoxy-2-(2-phenylethynyl)quinoline
CID 71562840
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-phenylisoquinoline?
The IUPAC name of 3-ethoxy-1-phenylisoquinoline (CID 12856286) is 3-ethoxy-1-phenylisoquinoline.
What is the SMILES notation for 3-ethoxy-1-phenylisoquinoline?
The canonical SMILES for 3-ethoxy-1-phenylisoquinoline is CCOc1cc2ccccc2c(-c2ccccc2)n1.
What is the InChIKey of 3-ethoxy-1-phenylisoquinoline?
The InChIKey is GLXMOXPWYQIPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-19-16-12-14-10-6-7-11-15(14)17(18-16)13-8-4-3-5-9-13/h3-12H,2H2,1H3.
What are the key properties of 3-ethoxy-1-phenylisoquinoline?
3-ethoxy-1-phenylisoquinoline has a molecular weight of 249.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-phenylisoquinoline is sourced from PubChem (CID 12856286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).