7-benzoyl-4H-1,4-benzoxazin-3-one

C15H11NO3 — CID 3087778

IUPAC7-benzoyl-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)c3ccccc3)ccc2N1
InChIInChI=1S/C15H11NO3/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyTZRNVVWHEHJLOL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.25
Rot. Bonds2

About 7-benzoyl-4H-1,4-benzoxazin-3-one

7-benzoyl-4H-1,4-benzoxazin-3-one (PubChem CID 3087778) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-benzoyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-benzoyl-4H-1,4-benzoxazin-3-one
PubChem CID3087778
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name7-benzoyl-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(C(=O)c3ccccc3)ccc2N1
InChIInChI=1S/C15H11NO3/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyTZRNVVWHEHJLOL-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782
6-(3-methylbenzoyl)-4H-1,4-benzoxazin-3-one
CID 43161468
(2-phenylphenyl) 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 56827768
(4-benzamidophenyl) 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 26702173
N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide
CID 51188956
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55372147
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
6-(3-methoxybenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339539
3-fluoro-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259391
6-(3,5-difluorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339523
N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 37429056

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-benzoyl-4H-1,4-benzoxazin-3-one (CID 3087778) is 7-benzoyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-benzoyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-benzoyl-4H-1,4-benzoxazin-3-one is O=C1COc2cc(C(=O)c3ccccc3)ccc2N1.
What is the InChIKey of 7-benzoyl-4H-1,4-benzoxazin-3-one?
The InChIKey is TZRNVVWHEHJLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 7-benzoyl-4H-1,4-benzoxazin-3-one?
7-benzoyl-4H-1,4-benzoxazin-3-one has a molecular weight of 253.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 3087778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).