2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline

C23H27N — CID 140607979

IUPAC2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline
SMILESCc1cc(C)cc(-c2ccc3c(C)cc(CC(C)(C)C)cc3n2)c1
InChIInChI=1S/C23H27N/c1-15-9-16(2)11-19(10-15)21-8-7-20-17(3)12-18(13-22(20)24-21)14-23(4,5)6/h7-13H,14H2,1-6H3
InChIKeyBRJDVTYIXQXNMU-UHFFFAOYSA-N
MW317.48 g/mol
LogP6.42
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline

2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline (PubChem CID 140607979) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline
PubChem CID140607979
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline
SMILESCc1cc(C)cc(-c2ccc3c(C)cc(CC(C)(C)C)cc3n2)c1
InChIInChI=1S/C23H27N/c1-15-9-16(2)11-19(10-15)21-8-7-20-17(3)12-18(13-22(20)24-21)14-23(4,5)6/h7-13H,14H2,1-6H3
InChIKeyBRJDVTYIXQXNMU-UHFFFAOYSA-N
XLogP6.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
CID 159845095
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
2-(3,5-dimethylphenyl)-7-methoxy-4-methylquinoline
CID 58871373
3-[2-(3,5-dimethylphenyl)quinolin-7-yl]-2,2-dimethylpropanenitrile
CID 167260893
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
[2-(3,5-dimethylphenyl)-5-trimethylgermylquinolin-7-yl]-trimethylgermane
CID 140607934
2-(3,5-dimethylphenyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)quinoline
CID 138464235
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846
2-(3,5-dimethylphenyl)-7-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]quinoline
CID 121437208
2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
CID 121266831
2-(3,5-dimethylphenyl)-6,7-diethylquinoline
CID 140607988

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline (CID 140607979) is 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline is Cc1cc(C)cc(-c2ccc3c(C)cc(CC(C)(C)C)cc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline?
The InChIKey is BRJDVTYIXQXNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-15-9-16(2)11-19(10-15)21-8-7-20-17(3)12-18(13-22(20)24-21)14-23(4,5)6/h7-13H,14H2,1-6H3.
What are the key properties of 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline?
2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline has a molecular weight of 317.48 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline is sourced from PubChem (CID 140607979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).