7-acetyl-4-phenyl-1,4-benzoxazin-3-one

C16H13NO3 — CID 166716218

IUPAC7-acetyl-4-phenyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)OCC(=O)N2c1ccccc1
InChIInChI=1S/C16H13NO3/c1-11(18)12-7-8-14-15(9-12)20-10-16(19)17(14)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyFRLVAJCUDNQDTB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.95
Rot. Bonds2

About 7-acetyl-4-phenyl-1,4-benzoxazin-3-one

7-acetyl-4-phenyl-1,4-benzoxazin-3-one (PubChem CID 166716218) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-acetyl-4-phenyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-acetyl-4-phenyl-1,4-benzoxazin-3-one
PubChem CID166716218
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name7-acetyl-4-phenyl-1,4-benzoxazin-3-one
SMILESCC(=O)c1ccc2c(c1)OCC(=O)N2c1ccccc1
InChIInChI=1S/C16H13NO3/c1-11(18)12-7-8-14-15(9-12)20-10-16(19)17(14)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyFRLVAJCUDNQDTB-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-nitro-3-oxo-4-phenyl-1,4-benzoxazine-6-carboxamide
CID 169171342
4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one
CID 6449466
3-phenyl-1,3-oxazolidine-2,4-dione
CID 10888463
2-methyl-6-phenyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 169171334
4-heptyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82025318
5-acetyl-1-benzofuran-3-one
CID 23008718
7-acetyl-4,5-dihydro-1-benzoxepin-3-one
CID 11264169
N-(diaminomethylidene)-4-methyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 10610532
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039301
propan-2-yl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 82019545
3-oxo-6-(2-phenylethenyl)-1,4-benzoxazine-4-carboxylic acid
CID 143179282

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-phenyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-acetyl-4-phenyl-1,4-benzoxazin-3-one (CID 166716218) is 7-acetyl-4-phenyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-acetyl-4-phenyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-acetyl-4-phenyl-1,4-benzoxazin-3-one is CC(=O)c1ccc2c(c1)OCC(=O)N2c1ccccc1.
What is the InChIKey of 7-acetyl-4-phenyl-1,4-benzoxazin-3-one?
The InChIKey is FRLVAJCUDNQDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-11(18)12-7-8-14-15(9-12)20-10-16(19)17(14)13-5-3-2-4-6-13/h2-9H,10H2,1H3.
What are the key properties of 7-acetyl-4-phenyl-1,4-benzoxazin-3-one?
7-acetyl-4-phenyl-1,4-benzoxazin-3-one has a molecular weight of 267.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-phenyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 166716218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).