1,10-dimethoxybenzo[c]cinnoline

C14H12N2O2 — CID 16724520

IUPAC1,10-dimethoxybenzo[c]cinnoline
SMILESCOc1cccc2nnc3cccc(OC)c3c12
InChIInChI=1S/C14H12N2O2/c1-17-11-7-3-5-9-13(11)14-10(16-15-9)6-4-8-12(14)18-2/h3-8H,1-2H3
InChIKeyDKHBOZGVMLZLLL-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds2

About 1,10-dimethoxybenzo[c]cinnoline

1,10-dimethoxybenzo[c]cinnoline (PubChem CID 16724520) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,10-dimethoxybenzo[c]cinnoline.

Molecular Properties

Compound Name1,10-dimethoxybenzo[c]cinnoline
PubChem CID16724520
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1,10-dimethoxybenzo[c]cinnoline
SMILESCOc1cccc2nnc3cccc(OC)c3c12
InChIInChI=1S/C14H12N2O2/c1-17-11-7-3-5-9-13(11)14-10(16-15-9)6-4-8-12(14)18-2/h3-8H,1-2H3
InChIKeyDKHBOZGVMLZLLL-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 1,10-dimethoxybenzo[c]cinnoline?
The IUPAC name of 1,10-dimethoxybenzo[c]cinnoline (CID 16724520) is 1,10-dimethoxybenzo[c]cinnoline.
What is the SMILES notation for 1,10-dimethoxybenzo[c]cinnoline?
The canonical SMILES for 1,10-dimethoxybenzo[c]cinnoline is COc1cccc2nnc3cccc(OC)c3c12.
What is the InChIKey of 1,10-dimethoxybenzo[c]cinnoline?
The InChIKey is DKHBOZGVMLZLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-7-3-5-9-13(11)14-10(16-15-9)6-4-8-12(14)18-2/h3-8H,1-2H3.
What are the key properties of 1,10-dimethoxybenzo[c]cinnoline?
1,10-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 1,10-dimethoxybenzo[c]cinnoline is sourced from PubChem (CID 16724520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).