2,3-dimethylquinoxaline-6-carbonitrile

C11H9N3 — CID 45099880

IUPAC2,3-dimethylquinoxaline-6-carbonitrile
SMILESCc1nc2ccc(C#N)cc2nc1C
InChIInChI=1S/C11H9N3/c1-7-8(2)14-11-5-9(6-12)3-4-10(11)13-7/h3-5H,1-2H3
InChIKeyIECMSDTYWFSMTB-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.12
Rot. Bonds

About 2,3-dimethylquinoxaline-6-carbonitrile

2,3-dimethylquinoxaline-6-carbonitrile (PubChem CID 45099880) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,3-dimethylquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name2,3-dimethylquinoxaline-6-carbonitrile
PubChem CID45099880
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2,3-dimethylquinoxaline-6-carbonitrile
SMILESCc1nc2ccc(C#N)cc2nc1C
InChIInChI=1S/C11H9N3/c1-7-8(2)14-11-5-9(6-12)3-4-10(11)13-7/h3-5H,1-2H3
InChIKeyIECMSDTYWFSMTB-UHFFFAOYSA-N
XLogP2.12
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methylquinoline-7-carbonitrile
CID 174882277
6-(2,3-dimethylquinoxalin-6-yl)-2,3-dimethylquinoxaline
CID 132512654
6-methyl-1,5-naphthyridine-3-carbonitrile
CID 58724326
3-chloro-2-(propan-2-ylamino)quinoxaline-6-carbonitrile
CID 90038423
quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
CID 91283468
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
CID 23354049
2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile
CID 86670228
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-methoxyquinoline-7-carbonitrile
CID 131198350
2,3-dimethylpyrazino[2,3-b]phenazine
CID 101041837
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717178

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylquinoxaline-6-carbonitrile?
The IUPAC name of 2,3-dimethylquinoxaline-6-carbonitrile (CID 45099880) is 2,3-dimethylquinoxaline-6-carbonitrile.
What is the SMILES notation for 2,3-dimethylquinoxaline-6-carbonitrile?
The canonical SMILES for 2,3-dimethylquinoxaline-6-carbonitrile is Cc1nc2ccc(C#N)cc2nc1C.
What is the InChIKey of 2,3-dimethylquinoxaline-6-carbonitrile?
The InChIKey is IECMSDTYWFSMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-7-8(2)14-11-5-9(6-12)3-4-10(11)13-7/h3-5H,1-2H3.
What are the key properties of 2,3-dimethylquinoxaline-6-carbonitrile?
2,3-dimethylquinoxaline-6-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylquinoxaline-6-carbonitrile is sourced from PubChem (CID 45099880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).