2-(2,6,7-trimethylquinolin-4-yl)acetonitrile

C14H14N2 — CID 82448714

IUPAC2-(2,6,7-trimethylquinolin-4-yl)acetonitrile
SMILESCc1cc(CC#N)c2cc(C)c(C)cc2n1
InChIInChI=1S/C14H14N2/c1-9-6-13-12(4-5-15)8-11(3)16-14(13)7-10(9)2/h6-8H,4H2,1-3H3
InChIKeyLEYWWZRMIZMOCN-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.23
Rot. Bonds1

About 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile

2-(2,6,7-trimethylquinolin-4-yl)acetonitrile (PubChem CID 82448714) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,6,7-trimethylquinolin-4-yl)acetonitrile
PubChem CID82448714
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(2,6,7-trimethylquinolin-4-yl)acetonitrile
SMILESCc1cc(CC#N)c2cc(C)c(C)cc2n1
InChIInChI=1S/C14H14N2/c1-9-6-13-12(4-5-15)8-11(3)16-14(13)7-10(9)2/h6-8H,4H2,1-3H3
InChIKeyLEYWWZRMIZMOCN-UHFFFAOYSA-N
XLogP3.23
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6,7-tetramethylquinoline
CID 13148811
2-(2,7,8-trimethylquinolin-4-yl)acetonitrile
CID 82448419
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-[2-iodo-6-methyl-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 130112883
2-(5,6-dimethyl-1-benzothiophen-3-yl)acetonitrile
CID 131053362
2-(5-fluoro-2-methoxy-3-methylphenyl)acetonitrile
CID 84767808
2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile
CID 82451023
2-(5-bromo-2-methyl-4-pyridinyl)acetonitrile
CID 130848882
2-(2-tert-butyl-7,8-dimethylquinolin-4-yl)acetonitrile
CID 82448490
2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile
CID 84773814
4-(cyanomethyl)-6-methylpyridine-2-carbonitrile
CID 170102292
ethane;2-(5-fluoro-2-methylphenyl)acetonitrile
CID 177006757

Frequently Asked Questions

What is the IUPAC name of 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile?
The IUPAC name of 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile (CID 82448714) is 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile?
The canonical SMILES for 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile is Cc1cc(CC#N)c2cc(C)c(C)cc2n1.
What is the InChIKey of 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile?
The InChIKey is LEYWWZRMIZMOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9-6-13-12(4-5-15)8-11(3)16-14(13)7-10(9)2/h6-8H,4H2,1-3H3.
What are the key properties of 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile?
2-(2,6,7-trimethylquinolin-4-yl)acetonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,7-trimethylquinolin-4-yl)acetonitrile is sourced from PubChem (CID 82448714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).