1-methyl-4-oxocinnoline-3-carboxylic acid

C10H8N2O3 — CID 569031

IUPAC1-methyl-4-oxocinnoline-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C10H8N2O3/c1-12-7-5-3-2-4-6(7)9(13)8(11-12)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyMRKGRJJAAGFLFT-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.63
Rot. Bonds1

About 1-methyl-4-oxocinnoline-3-carboxylic acid

1-methyl-4-oxocinnoline-3-carboxylic acid (PubChem CID 569031) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-methyl-4-oxocinnoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxocinnoline-3-carboxylic acid
PubChem CID569031
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-methyl-4-oxocinnoline-3-carboxylic acid
SMILESCn1nc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C10H8N2O3/c1-12-7-5-3-2-4-6(7)9(13)8(11-12)10(14)15/h2-5H,1H3,(H,14,15)
InChIKeyMRKGRJJAAGFLFT-UHFFFAOYSA-N
XLogP0.63
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxocinnoline-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxocinnoline-3-carboxylic acid (CID 569031) is 1-methyl-4-oxocinnoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxocinnoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxocinnoline-3-carboxylic acid is Cn1nc(C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-4-oxocinnoline-3-carboxylic acid?
The InChIKey is MRKGRJJAAGFLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-12-7-5-3-2-4-6(7)9(13)8(11-12)10(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 1-methyl-4-oxocinnoline-3-carboxylic acid?
1-methyl-4-oxocinnoline-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxocinnoline-3-carboxylic acid is sourced from PubChem (CID 569031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).