methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate

C18H16N2O5 — CID 110763913

IUPACmethyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1
InChIInChI=1S/C18H16N2O5/c1-20-14-9-11(6-7-15(14)25-10-16(20)21)17(22)19-13-5-3-4-12(8-13)18(23)24-2/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyRVZRDDFZGYEFLB-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.08
Rot. Bonds3

About methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate

methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate (PubChem CID 110763913) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
PubChem CID110763913
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1
InChIInChI=1S/C18H16N2O5/c1-20-14-9-11(6-7-15(14)25-10-16(20)21)17(22)19-13-5-3-4-12(8-13)18(23)24-2/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyRVZRDDFZGYEFLB-UHFFFAOYSA-N
XLogP2.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131934697
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
4-methyl-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide
CID 110763923
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 46286910
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131916676
methyl 4-(2-bromophenyl)-3-oxo-1,4-benzoxazine-6-carboxylate
CID 141336423

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate (CID 110763913) is methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1.
What is the InChIKey of methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate?
The InChIKey is RVZRDDFZGYEFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-20-14-9-11(6-7-15(14)25-10-16(20)21)17(22)19-13-5-3-4-12(8-13)18(23)24-2/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate?
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate is sourced from PubChem (CID 110763913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).