2-(2,7,8-trimethylquinolin-4-yl)acetonitrile

C14H14N2 — CID 82448419

IUPAC2-(2,7,8-trimethylquinolin-4-yl)acetonitrile
SMILESCc1cc(CC#N)c2ccc(C)c(C)c2n1
InChIInChI=1S/C14H14N2/c1-9-4-5-13-12(6-7-15)8-10(2)16-14(13)11(9)3/h4-5,8H,6H2,1-3H3
InChIKeyVHBHJKMUYLQRPD-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.23
Rot. Bonds1

About 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile

2-(2,7,8-trimethylquinolin-4-yl)acetonitrile (PubChem CID 82448419) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,7,8-trimethylquinolin-4-yl)acetonitrile
PubChem CID82448419
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(2,7,8-trimethylquinolin-4-yl)acetonitrile
SMILESCc1cc(CC#N)c2ccc(C)c(C)c2n1
InChIInChI=1S/C14H14N2/c1-9-4-5-13-12(6-7-15)8-10(2)16-14(13)11(9)3/h4-5,8H,6H2,1-3H3
InChIKeyVHBHJKMUYLQRPD-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-(2-tert-butyl-7,8-dimethylquinolin-4-yl)acetonitrile
CID 82448490
2-(2,6,7-trimethylquinolin-4-yl)acetonitrile
CID 82448714
2,7,8-trimethylquinoline-4-carbaldehyde
CID 82448404
2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
CID 84626490
2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
CID 117276124
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-[2-iodo-6-methyl-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 130112883
2,7,8-trimethyl-N-(4-methylphenyl)quinolin-4-amine
CID 743492
2-tert-butyl-4-(chloromethyl)-7,8-dimethylquinoline
CID 82448488
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
2-(5-bromo-2-methylphenyl)acetonitrile
CID 12056531

Frequently Asked Questions

What is the IUPAC name of 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile?
The IUPAC name of 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile (CID 82448419) is 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile?
The canonical SMILES for 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile is Cc1cc(CC#N)c2ccc(C)c(C)c2n1.
What is the InChIKey of 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile?
The InChIKey is VHBHJKMUYLQRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9-4-5-13-12(6-7-15)8-10(2)16-14(13)11(9)3/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-(2,7,8-trimethylquinolin-4-yl)acetonitrile?
2-(2,7,8-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-(2,7,8-trimethylquinolin-4-yl)acetonitrile is sourced from PubChem (CID 82448419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).