2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile

C9H7N3O — CID 18545771

IUPAC2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC(=O)N2
InChIInChI=1S/C9H7N3O/c10-4-6-1-2-7-8(3-6)11-5-9(13)12-7/h1-3,11H,5H2,(H,12,13)
InChIKeyVCQBDEDRWMCMMN-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.92
Rot. Bonds

About 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile

2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile (PubChem CID 18545771) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile
PubChem CID18545771
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC(=O)N2
InChIInChI=1S/C9H7N3O/c10-4-6-1-2-7-8(3-6)11-5-9(13)12-7/h1-3,11H,5H2,(H,12,13)
InChIKeyVCQBDEDRWMCMMN-UHFFFAOYSA-N
XLogP0.92
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile (CID 18545771) is 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)NCC(=O)N2.
What is the InChIKey of 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
The InChIKey is VCQBDEDRWMCMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c10-4-6-1-2-7-8(3-6)11-5-9(13)12-7/h1-3,11H,5H2,(H,12,13).
What are the key properties of 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 18545771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).