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

C10H8N2O3 — CID 14532034

IUPAC8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid
SMILESCc1cccc2c(=O)c(C(=O)O)n[nH]c12
InChIInChI=1S/C10H8N2O3/c1-5-3-2-4-6-7(5)11-12-8(9(6)13)10(14)15/h2-4H,1H3,(H,11,13)(H,14,15)
InChIKeyXXMQPFXACFGKAH-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.93
Rot. Bonds1

About 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid

8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid (PubChem CID 14532034) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid
PubChem CID14532034
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid
SMILESCc1cccc2c(=O)c(C(=O)O)n[nH]c12
InChIInChI=1S/C10H8N2O3/c1-5-3-2-4-6-7(5)11-12-8(9(6)13)10(14)15/h2-4H,1H3,(H,11,13)(H,14,15)
InChIKeyXXMQPFXACFGKAH-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 ≤ 500204.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The IUPAC name of 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid (CID 14532034) is 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid.
What is the SMILES notation for 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The canonical SMILES for 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid is Cc1cccc2c(=O)c(C(=O)O)n[nH]c12.
What is the InChIKey of 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The InChIKey is XXMQPFXACFGKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-5-3-2-4-6-7(5)11-12-8(9(6)13)10(14)15/h2-4H,1H3,(H,11,13)(H,14,15).
What are the key properties of 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid?
8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid has a molecular weight of 204.19 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 8-methyl-4-oxo-1H-cinnoline-3-carboxylic acid is sourced from PubChem (CID 14532034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).