3,8-dimethoxybenzo[c]cinnoline

C14H12N2O2 — CID 12637803

IUPAC3,8-dimethoxybenzo[c]cinnoline
SMILESCOc1ccc2c(c1)nnc1cc(OC)ccc12
InChIInChI=1S/C14H12N2O2/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)16-15-13(11)7-9/h3-8H,1-2H3
InChIKeyKZXFINMVJKUAOZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds2

About 3,8-dimethoxybenzo[c]cinnoline

3,8-dimethoxybenzo[c]cinnoline (PubChem CID 12637803) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3,8-dimethoxybenzo[c]cinnoline.

Molecular Properties

Compound Name3,8-dimethoxybenzo[c]cinnoline
PubChem CID12637803
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3,8-dimethoxybenzo[c]cinnoline
SMILESCOc1ccc2c(c1)nnc1cc(OC)ccc12
InChIInChI=1S/C14H12N2O2/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)16-15-13(11)7-9/h3-8H,1-2H3
InChIKeyKZXFINMVJKUAOZ-UHFFFAOYSA-N
XLogP2.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,8-dimethoxybenzo[c]cinnoline?
The IUPAC name of 3,8-dimethoxybenzo[c]cinnoline (CID 12637803) is 3,8-dimethoxybenzo[c]cinnoline.
What is the SMILES notation for 3,8-dimethoxybenzo[c]cinnoline?
The canonical SMILES for 3,8-dimethoxybenzo[c]cinnoline is COc1ccc2c(c1)nnc1cc(OC)ccc12.
What is the InChIKey of 3,8-dimethoxybenzo[c]cinnoline?
The InChIKey is KZXFINMVJKUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)16-15-13(11)7-9/h3-8H,1-2H3.
What are the key properties of 3,8-dimethoxybenzo[c]cinnoline?
3,8-dimethoxybenzo[c]cinnoline has a molecular weight of 240.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxybenzo[c]cinnoline is sourced from PubChem (CID 12637803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).