2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline

C22H25N — CID 138464254

IUPAC2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3cc(CC(C)(C)C)ccc3n2)c1
InChIInChI=1S/C22H25N/c1-15-10-16(2)12-19(11-15)21-9-7-18-13-17(14-22(3,4)5)6-8-20(18)23-21/h6-13H,14H2,1-5H3
InChIKeyMTZWKZQXRYVYDA-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.11
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline

2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline (PubChem CID 138464254) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
PubChem CID138464254
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3cc(CC(C)(C)C)ccc3n2)c1
InChIInChI=1S/C22H25N/c1-15-10-16(2)12-19(11-15)21-9-7-18-13-17(14-22(3,4)5)6-8-20(18)23-21/h6-13H,14H2,1-5H3
InChIKeyMTZWKZQXRYVYDA-UHFFFAOYSA-N
XLogP6.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline (CID 138464254) is 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline is Cc1cc(C)cc(-c2ccc3cc(CC(C)(C)C)ccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline?
The InChIKey is MTZWKZQXRYVYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-15-10-16(2)12-19(11-15)21-9-7-18-13-17(14-22(3,4)5)6-8-20(18)23-21/h6-13H,14H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline?
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline has a molecular weight of 303.45 g/mol, XLogP of 6.11, 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)-6-(2,2-dimethylpropyl)quinoline is sourced from PubChem (CID 138464254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).