2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one

C22H12N2O4 — CID 68742008

IUPAC2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
SMILESO=c1nc(-c2ccccc2-c2nc(=O)c3ccccc3o2)oc2ccccc12
InChIInChI=1S/C22H12N2O4/c25-19-15-9-3-5-11-17(15)27-21(23-19)13-7-1-2-8-14(13)22-24-20(26)16-10-4-6-12-18(16)28-22/h1-12H
InChIKeyRIIXBORUURBCJT-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.02
Rot. Bonds2

About 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one

2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one (PubChem CID 68742008) has the molecular formula C22H12N2O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
PubChem CID68742008
Molecular FormulaC22H12N2O4
Molecular Weight368.35 g/mol
Exact Mass368.08
IUPAC Name2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
SMILESO=c1nc(-c2ccccc2-c2nc(=O)c3ccccc3o2)oc2ccccc12
InChIInChI=1S/C22H12N2O4/c25-19-15-9-3-5-11-17(15)27-21(23-19)13-7-1-2-8-14(13)22-24-20(26)16-10-4-6-12-18(16)28-22/h1-12H
InChIKeyRIIXBORUURBCJT-UHFFFAOYSA-N
XLogP4.02
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one
CID 135763141
5-(4-oxo-1,3-benzoxazin-2-yl)isoindole-1,3-dione
CID 68786236
2-(diethylaminomethyl)-1,3-benzoxazin-4-one
CID 14146192
6-(1,3-benzoxazol-2-yl)benzo[de]isoquinoline-1,3-dione
CID 155420196
2-(N-ethylanilino)-1,3-benzoxazin-4-one
CID 59485236
2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 4885938
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one
CID 4888492
2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one
CID 4891351
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one?
The IUPAC name of 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one (CID 68742008) is 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one?
The canonical SMILES for 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one is O=c1nc(-c2ccccc2-c2nc(=O)c3ccccc3o2)oc2ccccc12.
What is the InChIKey of 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one?
The InChIKey is RIIXBORUURBCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O4/c25-19-15-9-3-5-11-17(15)27-21(23-19)13-7-1-2-8-14(13)22-24-20(26)16-10-4-6-12-18(16)28-22/h1-12H.
What are the key properties of 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one?
2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one has a molecular weight of 368.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one is sourced from PubChem (CID 68742008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).