3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one

C21H14N4O2 — CID 129286569

IUPAC3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one
SMILESO=c1c(-c2ccc3nonc3c2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H14N4O2/c26-21-20(15-10-11-16-18(12-15)24-27-23-16)22-17-8-4-5-9-19(17)25(21)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyAONZDBAHWUYXHT-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.65
Rot. Bonds3

About 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one

3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one (PubChem CID 129286569) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one
PubChem CID129286569
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one
SMILESO=c1c(-c2ccc3nonc3c2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H14N4O2/c26-21-20(15-10-11-16-18(12-15)24-27-23-16)22-17-8-4-5-9-19(17)25(21)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyAONZDBAHWUYXHT-UHFFFAOYSA-N
XLogP3.65
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one?
The IUPAC name of 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one (CID 129286569) is 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one is O=c1c(-c2ccc3nonc3c2)nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one?
The InChIKey is AONZDBAHWUYXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-21-20(15-10-11-16-18(12-15)24-27-23-16)22-17-8-4-5-9-19(17)25(21)13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one?
3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one has a molecular weight of 354.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one is sourced from PubChem (CID 129286569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).