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

C24H14N2O4 — CID 3063813

IUPAC2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(C(=Cc2ccccc2)c2nc3ccccc3c(=O)o2)nc2ccccc12
InChIInChI=1S/C24H14N2O4/c27-23-16-10-4-6-12-19(16)25-21(29-23)18(14-15-8-2-1-3-9-15)22-26-20-13-7-5-11-17(20)24(28)30-22/h1-14H
InChIKeyDDGBSVKYXNBKCO-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.28
Rot. Bonds3

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

2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one (PubChem CID 3063813) has the molecular formula C24H14N2O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one
PubChem CID3063813
Molecular FormulaC24H14N2O4
Molecular Weight394.39 g/mol
Exact Mass394.10
IUPAC Name2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(C(=Cc2ccccc2)c2nc3ccccc3c(=O)o2)nc2ccccc12
InChIInChI=1S/C24H14N2O4/c27-23-16-10-4-6-12-19(16)25-21(29-23)18(14-15-8-2-1-3-9-15)22-26-20-13-7-5-11-17(20)24(28)30-22/h1-14H
InChIKeyDDGBSVKYXNBKCO-UHFFFAOYSA-N
XLogP4.28
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one (CID 3063813) is 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one is O=c1oc(C(=Cc2ccccc2)c2nc3ccccc3c(=O)o2)nc2ccccc12.
What is the InChIKey of 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The InChIKey is DDGBSVKYXNBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O4/c27-23-16-10-4-6-12-19(16)25-21(29-23)18(14-15-8-2-1-3-9-15)22-26-20-13-7-5-11-17(20)24(28)30-22/h1-14H.
What are the key properties of 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one?
2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one has a molecular weight of 394.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 3063813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).