1-methylbenzo[c]cinnoline

C13H10N2 — CID 135059712

IUPAC1-methylbenzo[c]cinnoline
SMILESCc1cccc2nnc3ccccc3c12
InChIInChI=1S/C13H10N2/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-15-12/h2-8H,1H3
InChIKeyRGVBFZQGPHOIRZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.09
Rot. Bonds

About 1-methylbenzo[c]cinnoline

1-methylbenzo[c]cinnoline (PubChem CID 135059712) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-methylbenzo[c]cinnoline.

Molecular Properties

Compound Name1-methylbenzo[c]cinnoline
PubChem CID135059712
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name1-methylbenzo[c]cinnoline
SMILESCc1cccc2nnc3ccccc3c12
InChIInChI=1S/C13H10N2/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-15-12/h2-8H,1H3
InChIKeyRGVBFZQGPHOIRZ-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-methylbenzo[c]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 1-methylbenzo[c]cinnoline?
The IUPAC name of 1-methylbenzo[c]cinnoline (CID 135059712) is 1-methylbenzo[c]cinnoline.
What is the SMILES notation for 1-methylbenzo[c]cinnoline?
The canonical SMILES for 1-methylbenzo[c]cinnoline is Cc1cccc2nnc3ccccc3c12.
What is the InChIKey of 1-methylbenzo[c]cinnoline?
The InChIKey is RGVBFZQGPHOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-15-12/h2-8H,1H3.
What are the key properties of 1-methylbenzo[c]cinnoline?
1-methylbenzo[c]cinnoline has a molecular weight of 194.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzo[c]cinnoline is sourced from PubChem (CID 135059712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).