3-methoxybenzo[c]cinnoline

C13H10N2O — CID 6403290

IUPAC3-methoxybenzo[c]cinnoline
SMILESCOc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H10N2O/c1-16-9-6-7-11-10-4-2-3-5-12(10)14-15-13(11)8-9/h2-8H,1H3
InChIKeyNXXQHUAHHBRIBU-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.79
Rot. Bonds1

About 3-methoxybenzo[c]cinnoline

3-methoxybenzo[c]cinnoline (PubChem CID 6403290) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methoxybenzo[c]cinnoline.

Molecular Properties

Compound Name3-methoxybenzo[c]cinnoline
PubChem CID6403290
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-methoxybenzo[c]cinnoline
SMILESCOc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H10N2O/c1-16-9-6-7-11-10-4-2-3-5-12(10)14-15-13(11)8-9/h2-8H,1H3
InChIKeyNXXQHUAHHBRIBU-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxybenzo[c]cinnoline?
The IUPAC name of 3-methoxybenzo[c]cinnoline (CID 6403290) is 3-methoxybenzo[c]cinnoline.
What is the SMILES notation for 3-methoxybenzo[c]cinnoline?
The canonical SMILES for 3-methoxybenzo[c]cinnoline is COc1ccc2c(c1)nnc1ccccc12.
What is the InChIKey of 3-methoxybenzo[c]cinnoline?
The InChIKey is NXXQHUAHHBRIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-16-9-6-7-11-10-4-2-3-5-12(10)14-15-13(11)8-9/h2-8H,1H3.
What are the key properties of 3-methoxybenzo[c]cinnoline?
3-methoxybenzo[c]cinnoline has a molecular weight of 210.24 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybenzo[c]cinnoline is sourced from PubChem (CID 6403290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).