2,4,6-trimethylquinoline-8-carbonitrile

C13H12N2 — CID 82573229

IUPAC2,4,6-trimethylquinoline-8-carbonitrile
SMILESCc1cc(C#N)c2nc(C)cc(C)c2c1
InChIInChI=1S/C13H12N2/c1-8-4-11(7-14)13-12(5-8)9(2)6-10(3)15-13/h4-6H,1-3H3
InChIKeyCTHNJKLBUFUDNN-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.03
Rot. Bonds

About 2,4,6-trimethylquinoline-8-carbonitrile

2,4,6-trimethylquinoline-8-carbonitrile (PubChem CID 82573229) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4,6-trimethylquinoline-8-carbonitrile.

Molecular Properties

Compound Name2,4,6-trimethylquinoline-8-carbonitrile
PubChem CID82573229
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2,4,6-trimethylquinoline-8-carbonitrile
SMILESCc1cc(C#N)c2nc(C)cc(C)c2c1
InChIInChI=1S/C13H12N2/c1-8-4-11(7-14)13-12(5-8)9(2)6-10(3)15-13/h4-6H,1-3H3
InChIKeyCTHNJKLBUFUDNN-UHFFFAOYSA-N
XLogP3.03
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethylquinolin-8-amine
CID 21388016
4-bromo-2-methylquinoline-8-carbonitrile
CID 178002793
4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
CID 140974064
6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
5-chloro-2,8-dimethylquinoline-4-carbonitrile
CID 82573298
6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
5-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108778840
ethane;2,4,6,8-tetramethylquinolin-7-ol
CID 145015199
2-(2-hydroxyethoxy)-3,5-dimethylbenzonitrile
CID 151560499
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylquinoline-8-carbonitrile?
The IUPAC name of 2,4,6-trimethylquinoline-8-carbonitrile (CID 82573229) is 2,4,6-trimethylquinoline-8-carbonitrile.
What is the SMILES notation for 2,4,6-trimethylquinoline-8-carbonitrile?
The canonical SMILES for 2,4,6-trimethylquinoline-8-carbonitrile is Cc1cc(C#N)c2nc(C)cc(C)c2c1.
What is the InChIKey of 2,4,6-trimethylquinoline-8-carbonitrile?
The InChIKey is CTHNJKLBUFUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-8-4-11(7-14)13-12(5-8)9(2)6-10(3)15-13/h4-6H,1-3H3.
What are the key properties of 2,4,6-trimethylquinoline-8-carbonitrile?
2,4,6-trimethylquinoline-8-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylquinoline-8-carbonitrile is sourced from PubChem (CID 82573229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).