2,3-dimethylquinoline-8-carbonitrile

C12H10N2 — CID 174264832

IUPAC2,3-dimethylquinoline-8-carbonitrile
SMILESCc1cc2cccc(C#N)c2nc1C
InChIInChI=1S/C12H10N2/c1-8-6-10-4-3-5-11(7-13)12(10)14-9(8)2/h3-6H,1-2H3
InChIKeyWZVGMSBHHURGFW-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.72
Rot. Bonds

About 2,3-dimethylquinoline-8-carbonitrile

2,3-dimethylquinoline-8-carbonitrile (PubChem CID 174264832) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,3-dimethylquinoline-8-carbonitrile.

Molecular Properties

Compound Name2,3-dimethylquinoline-8-carbonitrile
PubChem CID174264832
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2,3-dimethylquinoline-8-carbonitrile
SMILESCc1cc2cccc(C#N)c2nc1C
InChIInChI=1S/C12H10N2/c1-8-6-10-4-3-5-11(7-13)12(10)14-9(8)2/h3-6H,1-2H3
InChIKeyWZVGMSBHHURGFW-UHFFFAOYSA-N
XLogP2.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cinnoline-3,8-dicarbonitrile
CID 172609726
8-bromo-2,3-dimethylquinoline
CID 11402096
8-methyl-2-(methylamino)quinoline-3-carbonitrile
CID 84619490
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
4-bromo-2-methylquinoline-8-carbonitrile
CID 178002793
3-phenylquinoline-8-carbonitrile
CID 25208899
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720674
2-(cyanomethylsulfanyl)-8-methylquinoline-3-carbonitrile
CID 3141909
2-methylbenzonitrile
CID 162098401
2-(2,5-dimethylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720542

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylquinoline-8-carbonitrile?
The IUPAC name of 2,3-dimethylquinoline-8-carbonitrile (CID 174264832) is 2,3-dimethylquinoline-8-carbonitrile.
What is the SMILES notation for 2,3-dimethylquinoline-8-carbonitrile?
The canonical SMILES for 2,3-dimethylquinoline-8-carbonitrile is Cc1cc2cccc(C#N)c2nc1C.
What is the InChIKey of 2,3-dimethylquinoline-8-carbonitrile?
The InChIKey is WZVGMSBHHURGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-6-10-4-3-5-11(7-13)12(10)14-9(8)2/h3-6H,1-2H3.
What are the key properties of 2,3-dimethylquinoline-8-carbonitrile?
2,3-dimethylquinoline-8-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylquinoline-8-carbonitrile is sourced from PubChem (CID 174264832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).