3-(4-methoxyphenyl)cinnoline

C15H12N2O — CID 125470471

IUPAC3-(4-methoxyphenyl)cinnoline
SMILESCOc1ccc(-c2cc3ccccc3nn2)cc1
InChIInChI=1S/C15H12N2O/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-17-15/h2-10H,1H3
InChIKeyHSSCLTPEOFVODC-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.31
Rot. Bonds2

About 3-(4-methoxyphenyl)cinnoline

3-(4-methoxyphenyl)cinnoline (PubChem CID 125470471) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)cinnoline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)cinnoline
PubChem CID125470471
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(4-methoxyphenyl)cinnoline
SMILESCOc1ccc(-c2cc3ccccc3nn2)cc1
InChIInChI=1S/C15H12N2O/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-17-15/h2-10H,1H3
InChIKeyHSSCLTPEOFVODC-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)cinnoline 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 3-(4-methoxyphenyl)cinnoline?
The IUPAC name of 3-(4-methoxyphenyl)cinnoline (CID 125470471) is 3-(4-methoxyphenyl)cinnoline.
What is the SMILES notation for 3-(4-methoxyphenyl)cinnoline?
The canonical SMILES for 3-(4-methoxyphenyl)cinnoline is COc1ccc(-c2cc3ccccc3nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)cinnoline?
The InChIKey is HSSCLTPEOFVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-17-15/h2-10H,1H3.
What are the key properties of 3-(4-methoxyphenyl)cinnoline?
3-(4-methoxyphenyl)cinnoline has a molecular weight of 236.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)cinnoline is sourced from PubChem (CID 125470471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).