2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide

C16H14N2O3 — CID 110682825

IUPAC2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(=O)Nc3ccccc3)ccc2NC1=O
InChIInChI=1S/C16H14N2O3/c1-10-15(19)18-13-8-7-11(9-14(13)21-10)16(20)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,20)(H,18,19)
InChIKeyNFGCMKXOBOBUAF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.66
Rot. Bonds2

About 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide

2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 110682825) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
PubChem CID110682825
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
SMILESCC1Oc2cc(C(=O)Nc3ccccc3)ccc2NC1=O
InChIInChI=1S/C16H14N2O3/c1-10-15(19)18-13-8-7-11(9-14(13)21-10)16(20)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,20)(H,18,19)
InChIKeyNFGCMKXOBOBUAF-UHFFFAOYSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682853
N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682883
2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide
CID 110682855
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 110683130
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682780
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide (CID 110682825) is 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide is CC1Oc2cc(C(=O)Nc3ccccc3)ccc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is NFGCMKXOBOBUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-15(19)18-13-8-7-11(9-14(13)21-10)16(20)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide?
2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).