6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid

C10H8N2O3 — CID 10488398

IUPAC6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid
SMILESCc1ccc2[nH]nc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C10H8N2O3/c1-5-2-3-7-6(4-5)9(13)8(10(14)15)12-11-7/h2-4H,1H3,(H,11,13)(H,14,15)
InChIKeyYGYZHVHLBVRBRW-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.93
Rot. Bonds1

About 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid

6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid (PubChem CID 10488398) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid
PubChem CID10488398
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid
SMILESCc1ccc2[nH]nc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C10H8N2O3/c1-5-2-3-7-6(4-5)9(13)8(10(14)15)12-11-7/h2-4H,1H3,(H,11,13)(H,14,15)
InChIKeyYGYZHVHLBVRBRW-UHFFFAOYSA-N
XLogP0.93
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid (CID 10488398) is 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid is Cc1ccc2[nH]nc(C(=O)O)c(=O)c2c1.
What is the InChIKey of 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The InChIKey is YGYZHVHLBVRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-5-2-3-7-6(4-5)9(13)8(10(14)15)12-11-7/h2-4H,1H3,(H,11,13)(H,14,15).
What are the key properties of 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1H-cinnoline-3-carboxylic acid is sourced from PubChem (CID 10488398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).