6,7-dimethoxy-1H-cinnolin-4-one

C10H10N2O3 — CID 12932777

IUPAC6,7-dimethoxy-1H-cinnolin-4-one
SMILESCOc1cc2[nH]ncc(=O)c2cc1OC
InChIInChI=1S/C10H10N2O3/c1-14-9-3-6-7(4-10(9)15-2)12-11-5-8(6)13/h3-5H,1-2H3,(H,12,13)
InChIKeyMIUNNXRSSLYMOV-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.94
Rot. Bonds2

About 6,7-dimethoxy-1H-cinnolin-4-one

6,7-dimethoxy-1H-cinnolin-4-one (PubChem CID 12932777) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6,7-dimethoxy-1H-cinnolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-1H-cinnolin-4-one
PubChem CID12932777
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6,7-dimethoxy-1H-cinnolin-4-one
SMILESCOc1cc2[nH]ncc(=O)c2cc1OC
InChIInChI=1S/C10H10N2O3/c1-14-9-3-6-7(4-10(9)15-2)12-11-5-8(6)13/h3-5H,1-2H3,(H,12,13)
InChIKeyMIUNNXRSSLYMOV-UHFFFAOYSA-N
XLogP0.94
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-1H-cinnolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1H-cinnolin-4-one?
The IUPAC name of 6,7-dimethoxy-1H-cinnolin-4-one (CID 12932777) is 6,7-dimethoxy-1H-cinnolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-1H-cinnolin-4-one?
The canonical SMILES for 6,7-dimethoxy-1H-cinnolin-4-one is COc1cc2[nH]ncc(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1H-cinnolin-4-one?
The InChIKey is MIUNNXRSSLYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-9-3-6-7(4-10(9)15-2)12-11-5-8(6)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 6,7-dimethoxy-1H-cinnolin-4-one?
6,7-dimethoxy-1H-cinnolin-4-one has a molecular weight of 206.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1H-cinnolin-4-one is sourced from PubChem (CID 12932777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).