methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate

C11H12N2O4 — CID 115190502

IUPACmethyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate
SMILESCNc1ccc2c(c1)N(C(=O)OC)C(=O)CO2
InChIInChI=1S/C11H12N2O4/c1-12-7-3-4-9-8(5-7)13(11(15)16-2)10(14)6-17-9/h3-5,12H,6H2,1-2H3
InChIKeyFJJFRVAJSMZUBP-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.22
Rot. Bonds1

About methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate

methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate (PubChem CID 115190502) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate
PubChem CID115190502
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Namemethyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate
SMILESCNc1ccc2c(c1)N(C(=O)OC)C(=O)CO2
InChIInChI=1S/C11H12N2O4/c1-12-7-3-4-9-8(5-7)13(11(15)16-2)10(14)6-17-9/h3-5,12H,6H2,1-2H3
InChIKeyFJJFRVAJSMZUBP-UHFFFAOYSA-N
XLogP1.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)-3-oxo-1,4-benzoxazine-4-carbothioic S-acid
CID 115169850
1-[6-(methylamino)-3-oxo-1,4-benzoxazin-4-yl]propane-1,2-dione
CID 115175502
6-(methylamino)-4-(3-sulfanylpropanoyl)-1,4-benzoxazin-3-one
CID 115167767
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190471
2-methyl-3-[6-(methylamino)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid
CID 115219347
6-(methylamino)-4-(2,2,2-trifluoroethyl)-1,4-benzoxazin-3-one
CID 115257791
6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one
CID 115118403
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]propanoate
CID 82316757
2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
CID 110493193
6-amino-4-[2-methyl-2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
CID 115165589
4-(2-hydroxyacetyl)-6-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 115140193
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate?
The IUPAC name of methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate (CID 115190502) is methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate.
What is the SMILES notation for methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate?
The canonical SMILES for methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate is CNc1ccc2c(c1)N(C(=O)OC)C(=O)CO2.
What is the InChIKey of methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate?
The InChIKey is FJJFRVAJSMZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-12-7-3-4-9-8(5-7)13(11(15)16-2)10(14)6-17-9/h3-5,12H,6H2,1-2H3.
What are the key properties of methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate?
methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate is sourced from PubChem (CID 115190502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).