methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate

C11H10N2O3 — CID 147584818

IUPACmethyl 2-(4-oxo-1H-cinnolin-3-yl)acetate
SMILESCOC(=O)Cc1n[nH]c2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10(14)6-9-11(15)7-4-2-3-5-8(7)12-13-9/h2-5H,6H2,1H3,(H,12,15)
InChIKeyFXDCZFRQAAHIIK-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.64
Rot. Bonds2

About methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate

methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate (PubChem CID 147584818) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-1H-cinnolin-3-yl)acetate
PubChem CID147584818
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 2-(4-oxo-1H-cinnolin-3-yl)acetate
SMILESCOC(=O)Cc1n[nH]c2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10(14)6-9-11(15)7-4-2-3-5-8(7)12-13-9/h2-5H,6H2,1H3,(H,12,15)
InChIKeyFXDCZFRQAAHIIK-UHFFFAOYSA-N
XLogP0.64
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate 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 methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate?
The IUPAC name of methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate (CID 147584818) is methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate?
The canonical SMILES for methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate is COC(=O)Cc1n[nH]c2ccccc2c1=O.
What is the InChIKey of methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate?
The InChIKey is FXDCZFRQAAHIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-10(14)6-9-11(15)7-4-2-3-5-8(7)12-13-9/h2-5H,6H2,1H3,(H,12,15).
What are the key properties of methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate?
methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate has a molecular weight of 218.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate is sourced from PubChem (CID 147584818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).