2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline

C29H29N — CID 157453660

IUPAC2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
SMILESCc1cc(C)cc(-c2cc(C3CCC(c4ccccc4)CC3)c3ccccc3n2)c1
InChIInChI=1S/C29H29N/c1-20-16-21(2)18-25(17-20)29-19-27(26-10-6-7-11-28(26)30-29)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-11,16-19,23-24H,12-15H2,1-2H3
InChIKeyAVXGJSRLQFLAKR-UHFFFAOYSA-N
MW391.56 g/mol
LogP7.96
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline

2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline (PubChem CID 157453660) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
PubChem CID157453660
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
SMILESCc1cc(C)cc(-c2cc(C3CCC(c4ccccc4)CC3)c3ccccc3n2)c1
InChIInChI=1S/C29H29N/c1-20-16-21(2)18-25(17-20)29-19-27(26-10-6-7-11-28(26)30-29)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-11,16-19,23-24H,12-15H2,1-2H3
InChIKeyAVXGJSRLQFLAKR-UHFFFAOYSA-N
XLogP7.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
CID 156655138
2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline
CID 156654942
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
4-cyclopropyl-2-methyl-6-phenylpyridine
CID 138981639
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
2,4-di(cycloheptyl)quinoline
CID 102287127
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
CID 145465094
5-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464216
5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
CID 154960050
2-phenyl-4-[(2R)-piperidin-2-yl]quinoline
CID 7144282

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline (CID 157453660) is 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline is Cc1cc(C)cc(-c2cc(C3CCC(c4ccccc4)CC3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline?
The InChIKey is AVXGJSRLQFLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N/c1-20-16-21(2)18-25(17-20)29-19-27(26-10-6-7-11-28(26)30-29)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-11,16-19,23-24H,12-15H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline?
2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline has a molecular weight of 391.56 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline is sourced from PubChem (CID 157453660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).