4-cyclopentyl-7-phenylisoquinoline

C20H19N — CID 70704187

IUPAC4-cyclopentyl-7-phenylisoquinoline
SMILESc1ccc(-c2ccc3c(C4CCCC4)cncc3c2)cc1
InChIInChI=1S/C20H19N/c1-2-6-15(7-3-1)17-10-11-19-18(12-17)13-21-14-20(19)16-8-4-5-9-16/h1-3,6-7,10-14,16H,4-5,8-9H2
InChIKeyZISOBYMQWMHLPL-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.56
Rot. Bonds2

About 4-cyclopentyl-7-phenylisoquinoline

4-cyclopentyl-7-phenylisoquinoline (PubChem CID 70704187) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-cyclopentyl-7-phenylisoquinoline.

Molecular Properties

Compound Name4-cyclopentyl-7-phenylisoquinoline
PubChem CID70704187
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name4-cyclopentyl-7-phenylisoquinoline
SMILESc1ccc(-c2ccc3c(C4CCCC4)cncc3c2)cc1
InChIInChI=1S/C20H19N/c1-2-6-15(7-3-1)17-10-11-19-18(12-17)13-21-14-20(19)16-8-4-5-9-16/h1-3,6-7,10-14,16H,4-5,8-9H2
InChIKeyZISOBYMQWMHLPL-UHFFFAOYSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexylisoquinoline
CID 21394649
4-[3-[6-(4-phenylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]cycloheptyl]isoquinoline
CID 130450633
4-bromo-7-phenylisoquinoline
CID 21192478
4-isoquinolin-4-ylcyclohexan-1-amine
CID 83261369
2,9-bis(2-cyclohexylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 22972033
1-(2-cyclopentyl-4-phenylphenyl)ethanone
CID 134842938
2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909436
2-isoquinolin-4-ylcyclohexan-1-amine
CID 63938244
2-cyclopentyl-1,4-diphenylnaphthalene
CID 15981874
7-(4-cyclohexylphenyl)-1-phenylisoquinoline
CID 156674472
2,9-dicyclohexyl-4-[4-(3,4-diphenylphenyl)phenyl]-1,10-phenanthroline
CID 171419047
2-(4-cyclohexylnaphthalen-2-yl)pyridine
CID 151672522

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-7-phenylisoquinoline?
The IUPAC name of 4-cyclopentyl-7-phenylisoquinoline (CID 70704187) is 4-cyclopentyl-7-phenylisoquinoline.
What is the SMILES notation for 4-cyclopentyl-7-phenylisoquinoline?
The canonical SMILES for 4-cyclopentyl-7-phenylisoquinoline is c1ccc(-c2ccc3c(C4CCCC4)cncc3c2)cc1.
What is the InChIKey of 4-cyclopentyl-7-phenylisoquinoline?
The InChIKey is ZISOBYMQWMHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-2-6-15(7-3-1)17-10-11-19-18(12-17)13-21-14-20(19)16-8-4-5-9-16/h1-3,6-7,10-14,16H,4-5,8-9H2.
What are the key properties of 4-cyclopentyl-7-phenylisoquinoline?
4-cyclopentyl-7-phenylisoquinoline has a molecular weight of 273.38 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-7-phenylisoquinoline is sourced from PubChem (CID 70704187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).