2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one

C24H23NO2 — CID 102222674

IUPAC2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2cc(C)ccc2N(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C24H23NO2/c1-3-22-24(26)25(21-14-13-17(2)15-23(21)27-22)16-19-11-7-8-12-20(19)18-9-5-4-6-10-18/h4-15,22H,3,16H2,1-2H3
InChIKeyXHXGBNARYHZYAR-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.37
Rot. Bonds4

About 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one

2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 102222674) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID102222674
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2cc(C)ccc2N(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C24H23NO2/c1-3-22-24(26)25(21-14-13-17(2)15-23(21)27-22)16-19-11-7-8-12-20(19)18-9-5-4-6-10-18/h4-15,22H,3,16H2,1-2H3
InChIKeyXHXGBNARYHZYAR-UHFFFAOYSA-N
XLogP5.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-benzo[1,4]oxazin-3-one
CID 10788207
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
6,7-Dimethyl-4-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 44449079
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
2-(3,5-dimethylphenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 2231395
2-[2-(3-Methylphenoxy)propanoyl]-1,2,3,4-tetrahydroisoquinoline
CID 2977115
2-Methyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3227578
4-(4-fluorobenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 3227582

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one (CID 102222674) is 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one is CCC1Oc2cc(C)ccc2N(Cc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is XHXGBNARYHZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-3-22-24(26)25(21-14-13-17(2)15-23(21)27-22)16-19-11-7-8-12-20(19)18-9-5-4-6-10-18/h4-15,22H,3,16H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 357.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 102222674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).