6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one

C15H11N2O4- — CID 21143358

IUPAC6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one
SMILESCc1cccc(-c2nc3ccc(N([O-])O)cc3c(=O)o2)c1
InChIInChI=1S/C15H11N2O4/c1-9-3-2-4-10(7-9)14-16-13-6-5-11(17(19)20)8-12(13)15(18)21-14/h2-8,19H,1H3/q-1
InChIKeyGQROHYIOLZOXJJ-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.86
Rot. Bonds2

About 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one

6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one (PubChem CID 21143358) has the molecular formula C15H11N2O4- and a molecular weight of 283.26 g/mol. Its IUPAC name is 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one
PubChem CID21143358
Molecular FormulaC15H11N2O4-
Molecular Weight283.26 g/mol
Exact Mass283.07
IUPAC Name6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one
SMILESCc1cccc(-c2nc3ccc(N([O-])O)cc3c(=O)o2)c1
InChIInChI=1S/C15H11N2O4/c1-9-3-2-4-10(7-9)14-16-13-6-5-11(17(19)20)8-12(13)15(18)21-14/h2-8,19H,1H3/q-1
InChIKeyGQROHYIOLZOXJJ-UHFFFAOYSA-N
XLogP2.86
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(chloromethyl)phenyl]-6-methyl-3,1-benzoxazin-4-one
CID 2795385
2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one
CID 3587331
2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one
CID 21262472
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one
CID 2228925
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554
2-[3-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 1330993
(2R)-2-[2-(3-methylphenyl)-1,3-benzoxazol-6-yl]propanoic acid
CID 125495241
[2-(3-ethoxyphenyl)-4-oxo-3,1-benzoxazin-6-yl] propanoate
CID 2228792
2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one
CID 15940445
2-[6-(6-carboxy-4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-4-oxo-3,1-benzoxazine-6-carboxylic acid
CID 18432266
2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
CID 13267780

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one (CID 21143358) is 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one is Cc1cccc(-c2nc3ccc(N([O-])O)cc3c(=O)o2)c1.
What is the InChIKey of 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one?
The InChIKey is GQROHYIOLZOXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2O4/c1-9-3-2-4-10(7-9)14-16-13-6-5-11(17(19)20)8-12(13)15(18)21-14/h2-8,19H,1H3/q-1.
What are the key properties of 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one?
6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one has a molecular weight of 283.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 21143358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).