4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

C10H10N2O3 — CID 82492126

IUPAC4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN1C(=O)COc2ccc(C(N)=O)cc21
InChIInChI=1S/C10H10N2O3/c1-12-7-4-6(10(11)14)2-3-8(7)15-5-9(12)13/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyFHOZEBPVNCLFOT-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.14
Rot. Bonds1

About 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 82492126) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID82492126
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN1C(=O)COc2ccc(C(N)=O)cc21
InChIInChI=1S/C10H10N2O3/c1-12-7-4-6(10(11)14)2-3-8(7)15-5-9(12)13/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyFHOZEBPVNCLFOT-UHFFFAOYSA-N
XLogP0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl cyanide
CID 116918990
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 110801473
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
4-methyl-6-(3-piperazin-1-ylpropanoyl)-1,4-benzoxazin-3-one
CID 82095735
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
4-methyl-6-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 82232965
N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 115191036
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
N-(diaminomethylidene)-4-methyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 10610532

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 82492126) is 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is CN1C(=O)COc2ccc(C(N)=O)cc21.
What is the InChIKey of 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is FHOZEBPVNCLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12-7-4-6(10(11)14)2-3-8(7)15-5-9(12)13/h2-4H,5H2,1H3,(H2,11,14).
What are the key properties of 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 82492126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).