3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide

C15H12N2O3 — CID 17429970

IUPAC3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccccc3)cc2N1
InChIInChI=1S/C15H12N2O3/c18-14-9-20-13-7-6-10(8-12(13)17-14)15(19)16-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,19)(H,17,18)
InChIKeyAPHGQAZRGVESRD-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.27
Rot. Bonds2

About 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide

3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 17429970) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
PubChem CID17429970
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccccc3)cc2N1
InChIInChI=1S/C15H12N2O3/c18-14-9-20-13-7-6-10(8-12(13)17-14)15(19)16-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,19)(H,17,18)
InChIKeyAPHGQAZRGVESRD-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17455965
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 39952263

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide (CID 17429970) is 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)Nc3ccccc3)cc2N1.
What is the InChIKey of 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is APHGQAZRGVESRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-14-9-20-13-7-6-10(8-12(13)17-14)15(19)16-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,19)(H,17,18).
What are the key properties of 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide?
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 17429970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).