1-oxido-3,4-dihydroquinoxalin-2-one

C8H7N2O2- — CID 87723963

IUPAC1-oxido-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1[O-]
InChIInChI=1S/C8H7N2O2/c11-8-5-9-6-3-1-2-4-7(6)10(8)12/h1-4,9H,5H2/q-1
InChIKeyQVXKUSQTWBUFQP-UHFFFAOYSA-N
MW163.16 g/mol
LogP0.94
Rot. Bonds

About 1-oxido-3,4-dihydroquinoxalin-2-one

1-oxido-3,4-dihydroquinoxalin-2-one (PubChem CID 87723963) has the molecular formula C8H7N2O2- and a molecular weight of 163.16 g/mol. Its IUPAC name is 1-oxido-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-oxido-3,4-dihydroquinoxalin-2-one
PubChem CID87723963
Molecular FormulaC8H7N2O2-
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name1-oxido-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1[O-]
InChIInChI=1S/C8H7N2O2/c11-8-5-9-6-3-1-2-4-7(6)10(8)12/h1-4,9H,5H2/q-1
InChIKeyQVXKUSQTWBUFQP-UHFFFAOYSA-N
XLogP0.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxido-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 89406142
1-(2-chlorophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006502
1-(2-bromophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006515
2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione
CID 94763938
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
4-(2-oxo-3,4-dihydroquinoxalin-1-yl)butanenitrile
CID 62876473
1-(cyclohexylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62874787
1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
CID 62874448
1-(4-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006508
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
CID 117030560
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030577

Frequently Asked Questions

What is the IUPAC name of 1-oxido-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-oxido-3,4-dihydroquinoxalin-2-one (CID 87723963) is 1-oxido-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-oxido-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-oxido-3,4-dihydroquinoxalin-2-one is O=C1CNc2ccccc2N1[O-].
What is the InChIKey of 1-oxido-3,4-dihydroquinoxalin-2-one?
The InChIKey is QVXKUSQTWBUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O2/c11-8-5-9-6-3-1-2-4-7(6)10(8)12/h1-4,9H,5H2/q-1.
What are the key properties of 1-oxido-3,4-dihydroquinoxalin-2-one?
1-oxido-3,4-dihydroquinoxalin-2-one has a molecular weight of 163.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 87723963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).