4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline

C24H27N — CID 167260845

IUPAC4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
SMILESCc1cc(C)cc(-c2cc(CC3CCCC3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C24H27N/c1-16-8-9-23-22(13-16)20(14-19-6-4-5-7-19)15-24(25-23)21-11-17(2)10-18(3)12-21/h8-13,15,19H,4-7,14H2,1-3H3
InChIKeyFQRKYXSJDWIOJB-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.56
Rot. Bonds3

About 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline

4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline (PubChem CID 167260845) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
PubChem CID167260845
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
SMILESCc1cc(C)cc(-c2cc(CC3CCCC3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C24H27N/c1-16-8-9-23-22(13-16)20(14-19-6-4-5-7-19)15-24(25-23)21-11-17(2)10-18(3)12-21/h8-13,15,19H,4-7,14H2,1-3H3
InChIKeyFQRKYXSJDWIOJB-UHFFFAOYSA-N
XLogP6.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
CID 138464224
2-chloro-3-(cyclohexylmethyl)-4-fluoro-6-methylquinoline
CID 138637038
N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 82448124
6-(cyclopentylmethyl)-3-(3,5-dimethylphenyl)isoquinoline
CID 167260804
2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
CID 59348536
2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
CID 155627713
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole
CID 167268999
6-cyclohexyl-2-(3,5-dimethylphenyl)quinoline
CID 138464247
4-(cyclopentylmethyl)-1,6-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501241
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline?
The IUPAC name of 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline (CID 167260845) is 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline?
The canonical SMILES for 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline is Cc1cc(C)cc(-c2cc(CC3CCCC3)c3cc(C)ccc3n2)c1.
What is the InChIKey of 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline?
The InChIKey is FQRKYXSJDWIOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-16-8-9-23-22(13-16)20(14-19-6-4-5-7-19)15-24(25-23)21-11-17(2)10-18(3)12-21/h8-13,15,19H,4-7,14H2,1-3H3.
What are the key properties of 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline?
4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline has a molecular weight of 329.49 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline is sourced from PubChem (CID 167260845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).