2-(3,7-dimethylquinolin-2-yl)acetonitrile

C13H12N2 — CID 84619423

IUPAC2-(3,7-dimethylquinolin-2-yl)acetonitrile
SMILESCc1ccc2cc(C)c(CC#N)nc2c1
InChIInChI=1S/C13H12N2/c1-9-3-4-11-8-10(2)12(5-6-14)15-13(11)7-9/h3-4,7-8H,5H2,1-2H3
InChIKeyJVLPDXJEXURHHL-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.92
Rot. Bonds1

About 2-(3,7-dimethylquinolin-2-yl)acetonitrile

2-(3,7-dimethylquinolin-2-yl)acetonitrile (PubChem CID 84619423) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3,7-dimethylquinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,7-dimethylquinolin-2-yl)acetonitrile
PubChem CID84619423
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-(3,7-dimethylquinolin-2-yl)acetonitrile
SMILESCc1ccc2cc(C)c(CC#N)nc2c1
InChIInChI=1S/C13H12N2/c1-9-3-4-11-8-10(2)12(5-6-14)15-13(11)7-9/h3-4,7-8H,5H2,1-2H3
InChIKeyJVLPDXJEXURHHL-UHFFFAOYSA-N
XLogP2.92
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylquinolin-2-yl)acetonitrile
CID 55167268
2-(6-bromo-3-methylquinolin-2-yl)acetonitrile
CID 84638449
3-(7-methylquinolin-3-yl)propanenitrile
CID 129451684
2-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
[2-(iodomethyl)-7-methylquinolin-3-yl]-trimethylsilane
CID 164678306
2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile
CID 116880093
7-methyl-2-(methylamino)quinoline-3-carbonitrile
CID 84619502
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130074269
2-(6-methyl-1H-indol-2-yl)acetonitrile
CID 84765788
2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
CID 58871250
2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82333203

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylquinolin-2-yl)acetonitrile?
The IUPAC name of 2-(3,7-dimethylquinolin-2-yl)acetonitrile (CID 84619423) is 2-(3,7-dimethylquinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(3,7-dimethylquinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(3,7-dimethylquinolin-2-yl)acetonitrile is Cc1ccc2cc(C)c(CC#N)nc2c1.
What is the InChIKey of 2-(3,7-dimethylquinolin-2-yl)acetonitrile?
The InChIKey is JVLPDXJEXURHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-9-3-4-11-8-10(2)12(5-6-14)15-13(11)7-9/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 2-(3,7-dimethylquinolin-2-yl)acetonitrile?
2-(3,7-dimethylquinolin-2-yl)acetonitrile has a molecular weight of 196.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylquinolin-2-yl)acetonitrile is sourced from PubChem (CID 84619423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).