4-cyclopentyl-2-(3-methylphenyl)quinoline

C21H21N — CID 138464462

IUPAC4-cyclopentyl-2-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2cc(C3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C21H21N/c1-15-7-6-10-17(13-15)21-14-19(16-8-2-3-9-16)18-11-4-5-12-20(18)22-21/h4-7,10-14,16H,2-3,8-9H2,1H3
InChIKeyWDCRTQHIGKABRK-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.87
Rot. Bonds2

About 4-cyclopentyl-2-(3-methylphenyl)quinoline

4-cyclopentyl-2-(3-methylphenyl)quinoline (PubChem CID 138464462) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-cyclopentyl-2-(3-methylphenyl)quinoline.

Molecular Properties

Compound Name4-cyclopentyl-2-(3-methylphenyl)quinoline
PubChem CID138464462
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name4-cyclopentyl-2-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2cc(C3CCCC3)c3ccccc3n2)c1
InChIInChI=1S/C21H21N/c1-15-7-6-10-17(13-15)21-14-19(16-8-2-3-9-16)18-11-4-5-12-20(18)22-21/h4-7,10-14,16H,2-3,8-9H2,1H3
InChIKeyWDCRTQHIGKABRK-UHFFFAOYSA-N
XLogP5.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(3-methylphenyl)quinoline?
The IUPAC name of 4-cyclopentyl-2-(3-methylphenyl)quinoline (CID 138464462) is 4-cyclopentyl-2-(3-methylphenyl)quinoline.
What is the SMILES notation for 4-cyclopentyl-2-(3-methylphenyl)quinoline?
The canonical SMILES for 4-cyclopentyl-2-(3-methylphenyl)quinoline is Cc1cccc(-c2cc(C3CCCC3)c3ccccc3n2)c1.
What is the InChIKey of 4-cyclopentyl-2-(3-methylphenyl)quinoline?
The InChIKey is WDCRTQHIGKABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-15-7-6-10-17(13-15)21-14-19(16-8-2-3-9-16)18-11-4-5-12-20(18)22-21/h4-7,10-14,16H,2-3,8-9H2,1H3.
What are the key properties of 4-cyclopentyl-2-(3-methylphenyl)quinoline?
4-cyclopentyl-2-(3-methylphenyl)quinoline has a molecular weight of 287.41 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(3-methylphenyl)quinoline is sourced from PubChem (CID 138464462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).