5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline

C23H25N — CID 138464224

IUPAC5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3c(CC4CCCC4)cccc3n2)c1
InChIInChI=1S/C23H25N/c1-16-12-17(2)14-20(13-16)22-11-10-21-19(8-5-9-23(21)24-22)15-18-6-3-4-7-18/h5,8-14,18H,3-4,6-7,15H2,1-2H3
InChIKeyJMHISKSVOXSVFD-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.25
Rot. Bonds3

About 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline

5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline (PubChem CID 138464224) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
PubChem CID138464224
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3c(CC4CCCC4)cccc3n2)c1
InChIInChI=1S/C23H25N/c1-16-12-17(2)14-20(13-16)22-11-10-21-19(8-5-9-23(21)24-22)15-18-6-3-4-7-18/h5,8-14,18H,3-4,6-7,15H2,1-2H3
InChIKeyJMHISKSVOXSVFD-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline?
The IUPAC name of 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline (CID 138464224) is 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline.
What is the SMILES notation for 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline?
The canonical SMILES for 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline is Cc1cc(C)cc(-c2ccc3c(CC4CCCC4)cccc3n2)c1.
What is the InChIKey of 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline?
The InChIKey is JMHISKSVOXSVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-16-12-17(2)14-20(13-16)22-11-10-21-19(8-5-9-23(21)24-22)15-18-6-3-4-7-18/h5,8-14,18H,3-4,6-7,15H2,1-2H3.
What are the key properties of 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline?
5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline has a molecular weight of 315.46 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline is sourced from PubChem (CID 138464224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).