4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline

C25H27N — CID 156655138

IUPAC4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
SMILESCc1cc(C)cc(-c2cc(C34CCC(CC3)CC4)c3ccccc3n2)c1
InChIInChI=1S/C25H27N/c1-17-13-18(2)15-20(14-17)24-16-22(21-5-3-4-6-23(21)26-24)25-10-7-19(8-11-25)9-12-25/h3-6,13-16,19H,7-12H2,1-2H3
InChIKeyCLTCGUGNLNMKFR-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.74
Rot. Bonds2

About 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline

4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline (PubChem CID 156655138) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
PubChem CID156655138
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
SMILESCc1cc(C)cc(-c2cc(C34CCC(CC3)CC4)c3ccccc3n2)c1
InChIInChI=1S/C25H27N/c1-17-13-18(2)15-20(14-17)24-16-22(21-5-3-4-6-23(21)26-24)25-10-7-19(8-11-25)9-12-25/h3-6,13-16,19H,7-12H2,1-2H3
InChIKeyCLTCGUGNLNMKFR-UHFFFAOYSA-N
XLogP6.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
CID 157453660
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846
5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
CID 138464224
4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
2-chloro-4-methylquinoline;(3,5-dimethylphenyl)boronic acid;2-(3,5-dimethylphenyl)-4-methylquinoline
CID 159270306
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
6-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylphenyl)isoquinoline
CID 156655010
4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
CID 167260845
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641

Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline?
The IUPAC name of 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline (CID 156655138) is 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline.
What is the SMILES notation for 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline?
The canonical SMILES for 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline is Cc1cc(C)cc(-c2cc(C34CCC(CC3)CC4)c3ccccc3n2)c1.
What is the InChIKey of 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline?
The InChIKey is CLTCGUGNLNMKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-17-13-18(2)15-20(14-17)24-16-22(21-5-3-4-6-23(21)26-24)25-10-7-19(8-11-25)9-12-25/h3-6,13-16,19H,7-12H2,1-2H3.
What are the key properties of 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline?
4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline has a molecular weight of 341.50 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline is sourced from PubChem (CID 156655138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).