6-methoxy-3-phenylisoquinoline

C16H13NO — CID 68806176

IUPAC6-methoxy-3-phenylisoquinoline
SMILESCOc1ccc2cnc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H13NO/c1-18-15-8-7-13-11-17-16(10-14(13)9-15)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyVRXLPLVESQUKMN-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.91
Rot. Bonds2

About 6-methoxy-3-phenylisoquinoline

6-methoxy-3-phenylisoquinoline (PubChem CID 68806176) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-methoxy-3-phenylisoquinoline.

Molecular Properties

Compound Name6-methoxy-3-phenylisoquinoline
PubChem CID68806176
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name6-methoxy-3-phenylisoquinoline
SMILESCOc1ccc2cnc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H13NO/c1-18-15-8-7-13-11-17-16(10-14(13)9-15)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyVRXLPLVESQUKMN-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-3-phenylisoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenylisoquinoline?
The IUPAC name of 6-methoxy-3-phenylisoquinoline (CID 68806176) is 6-methoxy-3-phenylisoquinoline.
What is the SMILES notation for 6-methoxy-3-phenylisoquinoline?
The canonical SMILES for 6-methoxy-3-phenylisoquinoline is COc1ccc2cnc(-c3ccccc3)cc2c1.
What is the InChIKey of 6-methoxy-3-phenylisoquinoline?
The InChIKey is VRXLPLVESQUKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-18-15-8-7-13-11-17-16(10-14(13)9-15)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 6-methoxy-3-phenylisoquinoline?
6-methoxy-3-phenylisoquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenylisoquinoline is sourced from PubChem (CID 68806176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).