methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate

C11H10N2O3 — CID 51065557

IUPACmethyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C11H10N2O3/c1-6-3-4-8-7(5-6)10(14)9(13-12-8)11(15)16-2/h3-5H,1-2H3,(H,12,14)
InChIKeySWRARLANYBRUCW-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.02
Rot. Bonds1

About methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate

methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate (PubChem CID 51065557) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate
PubChem CID51065557
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C11H10N2O3/c1-6-3-4-8-7(5-6)10(14)9(13-12-8)11(15)16-2/h3-5H,1-2H3,(H,12,14)
InChIKeySWRARLANYBRUCW-UHFFFAOYSA-N
XLogP1.02
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate?
The IUPAC name of methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate (CID 51065557) is methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate?
The canonical SMILES for methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate is COC(=O)c1n[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate?
The InChIKey is SWRARLANYBRUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-3-4-8-7(5-6)10(14)9(13-12-8)11(15)16-2/h3-5H,1-2H3,(H,12,14).
What are the key properties of methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate?
methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-oxo-1H-cinnoline-3-carboxylate is sourced from PubChem (CID 51065557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).