6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one

C17H15NO3 — CID 44714874

IUPAC6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)c3ccccc3)cc2N(C)C1=O
InChIInChI=1S/C17H15NO3/c1-11-17(20)18(2)14-10-13(8-9-15(14)21-11)16(19)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyNKHMVGVFRFCDRL-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.66
Rot. Bonds2

About 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one

6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 44714874) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID44714874
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)c3ccccc3)cc2N(C)C1=O
InChIInChI=1S/C17H15NO3/c1-11-17(20)18(2)14-10-13(8-9-15(14)21-11)16(19)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyNKHMVGVFRFCDRL-UHFFFAOYSA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714875
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
(2R)-6-[(2S)-2-chloropropanoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 7536483
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708
2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100944
2,4-dimethyl-7-(2-phenylprop-2-enoyl)-1,4-benzoxazin-3-one
CID 3077708
2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100941
6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110683186
(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one
CID 51713867
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683170
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one (CID 44714874) is 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2ccc(C(=O)c3ccccc3)cc2N(C)C1=O.
What is the InChIKey of 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is NKHMVGVFRFCDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-17(20)18(2)14-10-13(8-9-15(14)21-11)16(19)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one?
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 281.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 44714874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).