2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline

C24H21N — CID 86102330

IUPAC2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1
InChIInChI=1S/C24H21N/c1-16-8-11-19(12-9-16)22-15-24(20-13-10-17(2)14-18(20)3)25-23-7-5-4-6-21(22)23/h4-15H,1-3H3
InChIKeyCUGXDDGESJHGAG-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.49
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline

2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline (PubChem CID 86102330) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
PubChem CID86102330
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1
InChIInChI=1S/C24H21N/c1-16-8-11-19(12-9-16)22-15-24(20-13-10-17(2)14-18(20)3)25-23-7-5-4-6-21(22)23/h4-15H,1-3H3
InChIKeyCUGXDDGESJHGAG-UHFFFAOYSA-N
XLogP6.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline (CID 86102330) is 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline is Cc1ccc(-c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline?
The InChIKey is CUGXDDGESJHGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-16-8-11-19(12-9-16)22-15-24(20-13-10-17(2)14-18(20)3)25-23-7-5-4-6-21(22)23/h4-15H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline?
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline has a molecular weight of 323.44 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline is sourced from PubChem (CID 86102330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).