methyl 4-oxo-1H-cinnoline-6-carboxylate

C10H8N2O3 — CID 67119550

IUPACmethyl 4-oxo-1H-cinnoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]ncc(=O)c2c1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(13)5-11-12-8/h2-5H,1H3,(H,12,13)
InChIKeyAPIWQCZMCBJJGR-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.71
Rot. Bonds1

About methyl 4-oxo-1H-cinnoline-6-carboxylate

methyl 4-oxo-1H-cinnoline-6-carboxylate (PubChem CID 67119550) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 4-oxo-1H-cinnoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-1H-cinnoline-6-carboxylate
PubChem CID67119550
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 4-oxo-1H-cinnoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]ncc(=O)c2c1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(13)5-11-12-8/h2-5H,1H3,(H,12,13)
InChIKeyAPIWQCZMCBJJGR-UHFFFAOYSA-N
XLogP0.71
TPSA72.05 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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-oxo-1H-pyridazine-4-carboxylate
CID 53249880
6-chloro-1H-cinnolin-4-one
CID 139057390
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
6,7-dimethoxy-1H-cinnolin-4-one
CID 12932777
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
methyl 3-bromo-9H-pyrido[2,3-b]indole-6-carboxylate
CID 57458947
methyl 4-methyl-3-(4-methyl-1H-pyrazol-5-yl)benzoate
CID 155312908
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
methyl 3,5,8,10-tetraoxo-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13(18),14,16-hexaene-15-carboxylate
CID 11696235
methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
CID 50942143

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-1H-cinnoline-6-carboxylate?
The IUPAC name of methyl 4-oxo-1H-cinnoline-6-carboxylate (CID 67119550) is methyl 4-oxo-1H-cinnoline-6-carboxylate.
What is the SMILES notation for methyl 4-oxo-1H-cinnoline-6-carboxylate?
The canonical SMILES for methyl 4-oxo-1H-cinnoline-6-carboxylate is COC(=O)c1ccc2[nH]ncc(=O)c2c1.
What is the InChIKey of methyl 4-oxo-1H-cinnoline-6-carboxylate?
The InChIKey is APIWQCZMCBJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(13)5-11-12-8/h2-5H,1H3,(H,12,13).
What are the key properties of methyl 4-oxo-1H-cinnoline-6-carboxylate?
methyl 4-oxo-1H-cinnoline-6-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-1H-cinnoline-6-carboxylate is sourced from PubChem (CID 67119550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).