7-tert-butyl-2-(3,5-dimethylphenyl)quinoline

C21H23N — CID 159604387

IUPAC7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(C(C)(C)C)cc3n2)c1
InChIInChI=1S/C21H23N/c1-14-10-15(2)12-17(11-14)19-9-7-16-6-8-18(21(3,4)5)13-20(16)22-19/h6-13H,1-5H3
InChIKeyLNXKQADEIHWEJO-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.82
Rot. Bonds1

About 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline

7-tert-butyl-2-(3,5-dimethylphenyl)quinoline (PubChem CID 159604387) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline.

Molecular Properties

Compound Name7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
PubChem CID159604387
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(C(C)(C)C)cc3n2)c1
InChIInChI=1S/C21H23N/c1-14-10-15(2)12-17(11-14)19-9-7-16-6-8-18(21(3,4)5)13-20(16)22-19/h6-13H,1-5H3
InChIKeyLNXKQADEIHWEJO-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-(3,5-dimethylphenyl)-7-fluoroquinoline
CID 59288826
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
3-[2-(3,5-dimethylphenyl)quinolin-7-yl]-2,2-dimethylpropanenitrile
CID 167260893
2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine
CID 155628492
2-(3,5-dimethylphenyl)-6,7-diethylquinoline
CID 140607988
2-[3-(3-tert-butylphenyl)-4-[3-[2-(3-tert-butylphenyl)-4-quinolin-2-ylphenyl]-2-(3,5-dimethylphenyl)phenyl]phenyl]quinoline
CID 153422771
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline
CID 59288750
[2-(3,5-dimethylphenyl)quinolin-7-yl]-triethylgermane
CID 140592731
2-(3,5-dimethylphenyl)-7-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]quinoline
CID 121437208
2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline
CID 140607979

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline?
The IUPAC name of 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline (CID 159604387) is 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline.
What is the SMILES notation for 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline?
The canonical SMILES for 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline is Cc1cc(C)cc(-c2ccc3ccc(C(C)(C)C)cc3n2)c1.
What is the InChIKey of 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline?
The InChIKey is LNXKQADEIHWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-14-10-15(2)12-17(11-14)19-9-7-16-6-8-18(21(3,4)5)13-20(16)22-19/h6-13H,1-5H3.
What are the key properties of 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline?
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline has a molecular weight of 289.42 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(3,5-dimethylphenyl)quinoline is sourced from PubChem (CID 159604387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).