6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline

C23H21NO — CID 167258283

IUPAC6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
SMILESCc1cc(-c2nccc3cc(C4CCCC4)ccc23)c2occc2c1
InChIInChI=1S/C23H21NO/c1-15-12-19-9-11-25-23(19)21(13-15)22-20-7-6-17(16-4-2-3-5-16)14-18(20)8-10-24-22/h6-14,16H,2-5H2,1H3
InChIKeyXZOFELZEVHDSDF-UHFFFAOYSA-N
MW327.43 g/mol
LogP6.61
Rot. Bonds2

About 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline

6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline (PubChem CID 167258283) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline.

Molecular Properties

Compound Name6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
PubChem CID167258283
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
SMILESCc1cc(-c2nccc3cc(C4CCCC4)ccc23)c2occc2c1
InChIInChI=1S/C23H21NO/c1-15-12-19-9-11-25-23(19)21(13-15)22-20-7-6-17(16-4-2-3-5-16)14-18(20)8-10-24-22/h6-14,16H,2-5H2,1H3
InChIKeyXZOFELZEVHDSDF-UHFFFAOYSA-N
XLogP6.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258297
1-(5-cyclopentyl-1-benzofuran-7-yl)-6-methylisoquinoline
CID 167259555
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046
6-(4,4-difluorocyclohexyl)-1-(4-fluoro-2,5-dimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258509
[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine
CID 175320635
7-cyclopentyl-19-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 167210298
6-cyclopentyl-1-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)isoquinoline
CID 165383651
7-cyclopentyl-4-(2,3,5-trimethylphenyl)quinazoline
CID 130343427
6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
CID 156621924
8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 169055491
6-(3,3-difluorocyclopentyl)-1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)isoquinoline
CID 167259518
6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylphenyl)isoquinoline
CID 155639325

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
The IUPAC name of 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline (CID 167258283) is 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline.
What is the SMILES notation for 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
The canonical SMILES for 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline is Cc1cc(-c2nccc3cc(C4CCCC4)ccc23)c2occc2c1.
What is the InChIKey of 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
The InChIKey is XZOFELZEVHDSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-15-12-19-9-11-25-23(19)21(13-15)22-20-7-6-17(16-4-2-3-5-16)14-18(20)8-10-24-22/h6-14,16H,2-5H2,1H3.
What are the key properties of 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline has a molecular weight of 327.43 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline is sourced from PubChem (CID 167258283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).