2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one

C26H14N2O4 — CID 13267780

IUPAC2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc3cc(-c4nc5ccccc5c(=O)o4)ccc3c2)nc2ccccc12
InChIInChI=1S/C26H14N2O4/c29-25-19-5-1-3-7-21(19)27-23(31-25)17-11-9-16-14-18(12-10-15(16)13-17)24-28-22-8-4-2-6-20(22)26(30)32-24/h1-14H
InChIKeyUVCFREROPAGUJR-UHFFFAOYSA-N
MW418.41 g/mol
LogP5.18
Rot. Bonds2

About 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one

2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one (PubChem CID 13267780) has the molecular formula C26H14N2O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
PubChem CID13267780
Molecular FormulaC26H14N2O4
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC Name2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc3cc(-c4nc5ccccc5c(=O)o4)ccc3c2)nc2ccccc12
InChIInChI=1S/C26H14N2O4/c29-25-19-5-1-3-7-21(19)27-23(31-25)17-11-9-16-14-18(12-10-15(16)13-17)24-28-22-8-4-2-6-20(22)26(30)32-24/h1-14H
InChIKeyUVCFREROPAGUJR-UHFFFAOYSA-N
XLogP5.18
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one with MolForge

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Related Compounds

CID 68568728
CID 68568728
2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one
CID 625977
2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one
CID 59140862
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-(4-chloro-3-nitrophenyl)-3,1-benzoxazin-4-one
CID 745570
2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenoxy]phenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
CID 3098426
2-[[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl]-3,1-benzoxazin-4-one
CID 163715161
(2-naphthalen-2-yl-4-oxo-3,1-benzoxazin-6-yl) acetate
CID 9321741
2-(1-methylpyrazol-4-yl)-3,1-benzoxazin-4-one
CID 57362272
bis[2-methoxy-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] benzene-1,4-dicarboxylate
CID 3098427
2-(2,4-dioxo-1H-pyrimidin-5-yl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
CID 1381907
2-(2,4-dimethoxyphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione
CID 1366000

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one (CID 13267780) is 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one is O=c1oc(-c2ccc3cc(-c4nc5ccccc5c(=O)o4)ccc3c2)nc2ccccc12.
What is the InChIKey of 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one?
The InChIKey is UVCFREROPAGUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2O4/c29-25-19-5-1-3-7-21(19)27-23(31-25)17-11-9-16-14-18(12-10-15(16)13-17)24-28-22-8-4-2-6-20(22)26(30)32-24/h1-14H.
What are the key properties of 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one?
2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one has a molecular weight of 418.41 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 13267780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).