7,8-dimethoxy-1H-cinnolin-4-one

C10H10N2O3 — CID 86018702

IUPAC7,8-dimethoxy-1H-cinnolin-4-one
SMILESCOc1ccc2c(=O)cn[nH]c2c1OC
InChIInChI=1S/C10H10N2O3/c1-14-8-4-3-6-7(13)5-11-12-9(6)10(8)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyOSWYRKIMAWPQCC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.94
Rot. Bonds2

About 7,8-dimethoxy-1H-cinnolin-4-one

7,8-dimethoxy-1H-cinnolin-4-one (PubChem CID 86018702) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7,8-dimethoxy-1H-cinnolin-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-1H-cinnolin-4-one
PubChem CID86018702
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7,8-dimethoxy-1H-cinnolin-4-one
SMILESCOc1ccc2c(=O)cn[nH]c2c1OC
InChIInChI=1S/C10H10N2O3/c1-14-8-4-3-6-7(13)5-11-12-9(6)10(8)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyOSWYRKIMAWPQCC-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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1H-cinnolin-4-one?
The IUPAC name of 7,8-dimethoxy-1H-cinnolin-4-one (CID 86018702) is 7,8-dimethoxy-1H-cinnolin-4-one.
What is the SMILES notation for 7,8-dimethoxy-1H-cinnolin-4-one?
The canonical SMILES for 7,8-dimethoxy-1H-cinnolin-4-one is COc1ccc2c(=O)cn[nH]c2c1OC.
What is the InChIKey of 7,8-dimethoxy-1H-cinnolin-4-one?
The InChIKey is OSWYRKIMAWPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-8-4-3-6-7(13)5-11-12-9(6)10(8)15-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of 7,8-dimethoxy-1H-cinnolin-4-one?
7,8-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 7,8-dimethoxy-1H-cinnolin-4-one is sourced from PubChem (CID 86018702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).