3-phenylisoquinoline

C15H11N — CID 609614

IUPAC3-phenylisoquinoline
SMILESc1ccc(-c2cc3ccccc3cn2)cc1
InChIInChI=1S/C15H11N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-11H
InChIKeyRBJOTRVJJWIIER-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.90
Rot. Bonds1

About 3-phenylisoquinoline

3-phenylisoquinoline (PubChem CID 609614) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-phenylisoquinoline.

Molecular Properties

Compound Name3-phenylisoquinoline
PubChem CID609614
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name3-phenylisoquinoline
SMILESc1ccc(-c2cc3ccccc3cn2)cc1
InChIInChI=1S/C15H11N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-11H
InChIKeyRBJOTRVJJWIIER-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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

Related Compounds

(+-)-Dimethindene
CID 21855
Quinoline
CID 7047
Pheniramine
CID 4761
Acridine
CID 9215
6-Methylquinoline
CID 7059
Azatadine
CID 19861
Isoquinoline
CID 8405
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285

Frequently Asked Questions

What is the IUPAC name of 3-phenylisoquinoline?
The IUPAC name of 3-phenylisoquinoline (CID 609614) is 3-phenylisoquinoline.
What is the SMILES notation for 3-phenylisoquinoline?
The canonical SMILES for 3-phenylisoquinoline is c1ccc(-c2cc3ccccc3cn2)cc1.
What is the InChIKey of 3-phenylisoquinoline?
The InChIKey is RBJOTRVJJWIIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-11H.
What are the key properties of 3-phenylisoquinoline?
3-phenylisoquinoline has a molecular weight of 205.26 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylisoquinoline is sourced from PubChem (CID 609614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).