1-phenylmethoxyisoquinoline

C16H13NO — CID 54484221

IUPAC1-phenylmethoxyisoquinoline
SMILESc1ccc(COc2nccc3ccccc23)cc1
InChIInChI=1S/C16H13NO/c1-2-6-13(7-3-1)12-18-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2
InChIKeyXRDRVENQPLJNJD-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.81
Rot. Bonds3

About 1-phenylmethoxyisoquinoline

1-phenylmethoxyisoquinoline (PubChem CID 54484221) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-phenylmethoxyisoquinoline.

Molecular Properties

Compound Name1-phenylmethoxyisoquinoline
PubChem CID54484221
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-phenylmethoxyisoquinoline
SMILESc1ccc(COc2nccc3ccccc23)cc1
InChIInChI=1S/C16H13NO/c1-2-6-13(7-3-1)12-18-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2
InChIKeyXRDRVENQPLJNJD-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenylmethoxyisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethaverine
CID 3280
Ethaverine
CID 3280
Quinisocaine
CID 6857
Dimethisoquin Hydrochloride
CID 9883104
7-Benzyloxyquinoline
CID 3035604
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxyisoquinoline?
The IUPAC name of 1-phenylmethoxyisoquinoline (CID 54484221) is 1-phenylmethoxyisoquinoline.
What is the SMILES notation for 1-phenylmethoxyisoquinoline?
The canonical SMILES for 1-phenylmethoxyisoquinoline is c1ccc(COc2nccc3ccccc23)cc1.
What is the InChIKey of 1-phenylmethoxyisoquinoline?
The InChIKey is XRDRVENQPLJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-2-6-13(7-3-1)12-18-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2.
What are the key properties of 1-phenylmethoxyisoquinoline?
1-phenylmethoxyisoquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxyisoquinoline is sourced from PubChem (CID 54484221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).