1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile

C24H24N2 — CID 167260709

IUPAC1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)cc(-c2ccc3ccc(CC4(C#N)CCCC4)cc3n2)c1
InChIInChI=1S/C24H24N2/c1-17-11-18(2)13-21(12-17)22-8-7-20-6-5-19(14-23(20)26-22)15-24(16-25)9-3-4-10-24/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyJBGBQBBIOKAZAY-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.15
Rot. Bonds3

About 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile

1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile (PubChem CID 167260709) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile
PubChem CID167260709
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)cc(-c2ccc3ccc(CC4(C#N)CCCC4)cc3n2)c1
InChIInChI=1S/C24H24N2/c1-17-11-18(2)13-21(12-17)22-8-7-20-6-5-19(14-23(20)26-22)15-24(16-25)9-3-4-10-24/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyJBGBQBBIOKAZAY-UHFFFAOYSA-N
XLogP6.15
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile (CID 167260709) is 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile is Cc1cc(C)cc(-c2ccc3ccc(CC4(C#N)CCCC4)cc3n2)c1.
What is the InChIKey of 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile?
The InChIKey is JBGBQBBIOKAZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-17-11-18(2)13-21(12-17)22-8-7-20-6-5-19(14-23(20)26-22)15-24(16-25)9-3-4-10-24/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile?
1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile has a molecular weight of 340.47 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 167260709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).