4aH-quinoxalin-2-one

C8H6N2O — CID 71650629

IUPAC4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=CC=CC2=N1
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-6H
InChIKeyZLZQFBHACGTOJG-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.53
Rot. Bonds

About 4aH-quinoxalin-2-one

4aH-quinoxalin-2-one (PubChem CID 71650629) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 4aH-quinoxalin-2-one.

Molecular Properties

Compound Name4aH-quinoxalin-2-one
PubChem CID71650629
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name4aH-quinoxalin-2-one
SMILESO=C1C=NC2C=CC=CC2=N1
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-6H
InChIKeyZLZQFBHACGTOJG-UHFFFAOYSA-N
XLogP0.53
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Oxochinoxalin
CID 57169914
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
6-fluoro-3H-quinoxalin-2-one
CID 71773273
7-fluoro-4aH-quinoxalin-2-one
CID 73825725
7-fluoro-8-methyl-4aH-quinoxalin-2-one
CID 75094955
7-fluoro-4aH-1,5-naphthyridin-2-one
CID 75247395
6-fluoro-4aH-quinoxalin-2-one
CID 76844842
3-fluoro-4aH-quinoxalin-2-one
CID 76851270
5-fluoro-4aH-quinoxalin-2-one
CID 76851473
8-fluoro-4aH-quinoxalin-2-one
CID 76851632
7,8-difluoro-4aH-quinoxalin-2-one
CID 77232676
6,7-difluoro-4aH-quinoxalin-2-one
CID 78406984

Frequently Asked Questions

What is the IUPAC name of 4aH-quinoxalin-2-one?
The IUPAC name of 4aH-quinoxalin-2-one (CID 71650629) is 4aH-quinoxalin-2-one.
What is the SMILES notation for 4aH-quinoxalin-2-one?
The canonical SMILES for 4aH-quinoxalin-2-one is O=C1C=NC2C=CC=CC2=N1.
What is the InChIKey of 4aH-quinoxalin-2-one?
The InChIKey is ZLZQFBHACGTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-6H.
What are the key properties of 4aH-quinoxalin-2-one?
4aH-quinoxalin-2-one has a molecular weight of 146.15 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-quinoxalin-2-one is sourced from PubChem (CID 71650629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).