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

C22H16N2O4 — CID 67395153

IUPAC4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one
SMILESO=C1NOc2ccccc2C1c1ccccc1C1C(=O)NOc2ccccc21
InChIInChI=1S/C22H16N2O4/c25-21-19(15-9-3-5-11-17(15)27-23-21)13-7-1-2-8-14(13)20-16-10-4-6-12-18(16)28-24-22(20)26/h1-12,19-20H,(H,23,25)(H,24,26)
InChIKeyPYWJDIVZEOCXEQ-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.80
Rot. Bonds2

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

4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one (PubChem CID 67395153) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one
PubChem CID67395153
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one
SMILESO=C1NOc2ccccc2C1c1ccccc1C1C(=O)NOc2ccccc21
InChIInChI=1S/C22H16N2O4/c25-21-19(15-9-3-5-11-17(15)27-23-21)13-7-1-2-8-14(13)20-16-10-4-6-12-18(16)28-24-22(20)26/h1-12,19-20H,(H,23,25)(H,24,26)
InChIKeyPYWJDIVZEOCXEQ-UHFFFAOYSA-N
XLogP2.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one?
The IUPAC name of 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one (CID 67395153) is 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one?
The canonical SMILES for 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one is O=C1NOc2ccccc2C1c1ccccc1C1C(=O)NOc2ccccc21.
What is the InChIKey of 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one?
The InChIKey is PYWJDIVZEOCXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-21-19(15-9-3-5-11-17(15)27-23-21)13-7-1-2-8-14(13)20-16-10-4-6-12-18(16)28-24-22(20)26/h1-12,19-20H,(H,23,25)(H,24,26).
What are the key properties of 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one?
4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one has a molecular weight of 372.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-oxo-4H-1,2-benzoxazin-4-yl)phenyl]-4H-1,2-benzoxazin-3-one is sourced from PubChem (CID 67395153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).