benzo[c]cinnoline

C12H8N2 — CID 9190

IUPACbenzo[c]cinnoline
SMILESc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
InChIKeySWJXWSAKHXBQSY-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.78
Rot. Bonds

About benzo[c]cinnoline

benzo[c]cinnoline (PubChem CID 9190) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is benzo[c]cinnoline.

Molecular Properties

Compound Namebenzo[c]cinnoline
PubChem CID9190
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Namebenzo[c]cinnoline
SMILESc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
InChIKeySWJXWSAKHXBQSY-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'}

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Frequently Asked Questions

What is the IUPAC name of benzo[c]cinnoline?
The IUPAC name of benzo[c]cinnoline (CID 9190) is benzo[c]cinnoline.
What is the SMILES notation for benzo[c]cinnoline?
The canonical SMILES for benzo[c]cinnoline is c1ccc2c(c1)nnc1ccccc12.
What is the InChIKey of benzo[c]cinnoline?
The InChIKey is SWJXWSAKHXBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H.
What are the key properties of benzo[c]cinnoline?
benzo[c]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[c]cinnoline is sourced from PubChem (CID 9190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).