6,9-dihydrobenzo[g]cinnoline

C12H10N2 — CID 23222196

IUPAC6,9-dihydrobenzo[g]cinnoline
SMILESC1=CCc2cc3nnccc3cc2C1
InChIInChI=1S/C12H10N2/c1-2-4-10-8-12-11(5-6-13-14-12)7-9(10)3-1/h1-2,5-8H,3-4H2
InChIKeyXEJDOPYVMNELKJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.28
Rot. Bonds

About 6,9-dihydrobenzo[g]cinnoline

6,9-dihydrobenzo[g]cinnoline (PubChem CID 23222196) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 6,9-dihydrobenzo[g]cinnoline.

Molecular Properties

Compound Name6,9-dihydrobenzo[g]cinnoline
PubChem CID23222196
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name6,9-dihydrobenzo[g]cinnoline
SMILESC1=CCc2cc3nnccc3cc2C1
InChIInChI=1S/C12H10N2/c1-2-4-10-8-12-11(5-6-13-14-12)7-9(10)3-1/h1-2,5-8H,3-4H2
InChIKeyXEJDOPYVMNELKJ-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,9-dihydrobenzo[g]cinnoline?
The IUPAC name of 6,9-dihydrobenzo[g]cinnoline (CID 23222196) is 6,9-dihydrobenzo[g]cinnoline.
What is the SMILES notation for 6,9-dihydrobenzo[g]cinnoline?
The canonical SMILES for 6,9-dihydrobenzo[g]cinnoline is C1=CCc2cc3nnccc3cc2C1.
What is the InChIKey of 6,9-dihydrobenzo[g]cinnoline?
The InChIKey is XEJDOPYVMNELKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-10-8-12-11(5-6-13-14-12)7-9(10)3-1/h1-2,5-8H,3-4H2.
What are the key properties of 6,9-dihydrobenzo[g]cinnoline?
6,9-dihydrobenzo[g]cinnoline has a molecular weight of 182.23 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dihydrobenzo[g]cinnoline is sourced from PubChem (CID 23222196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).