benzo[h]cinnoline

C12H8N2 — CID 601987

IUPACbenzo[h]cinnoline
SMILESc1ccc2c(c1)ccc1ccnnc12
InChIInChI=1S/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H
InChIKeyDMMLYDCVMZEUMT-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.78
Rot. Bonds

About benzo[h]cinnoline

benzo[h]cinnoline (PubChem CID 601987) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is benzo[h]cinnoline.

Molecular Properties

Compound Namebenzo[h]cinnoline
PubChem CID601987
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Namebenzo[h]cinnoline
SMILESc1ccc2c(c1)ccc1ccnnc12
InChIInChI=1S/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H
InChIKeyDMMLYDCVMZEUMT-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzo[h]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 benzo[h]cinnoline?
The IUPAC name of benzo[h]cinnoline (CID 601987) is benzo[h]cinnoline.
What is the SMILES notation for benzo[h]cinnoline?
The canonical SMILES for benzo[h]cinnoline is c1ccc2c(c1)ccc1ccnnc12.
What is the InChIKey of benzo[h]cinnoline?
The InChIKey is DMMLYDCVMZEUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H.
What are the key properties of benzo[h]cinnoline?
benzo[h]cinnoline has a molecular weight of 180.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]cinnoline is sourced from PubChem (CID 601987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).