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

C24H23NO — CID 167258297

IUPAC6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
SMILESCc1cc(-c2nccc3cc(C4CCCCC4)ccc23)c2occc2c1
InChIInChI=1S/C24H23NO/c1-16-13-20-10-12-26-24(20)22(14-16)23-21-8-7-18(15-19(21)9-11-25-23)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3
InChIKeyBIIXQLNNGPAEHD-UHFFFAOYSA-N
MW341.45 g/mol
LogP7.00
Rot. Bonds2

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

6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline (PubChem CID 167258297) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline.

Molecular Properties

Compound Name6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
PubChem CID167258297
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
SMILESCc1cc(-c2nccc3cc(C4CCCCC4)ccc23)c2occc2c1
InChIInChI=1S/C24H23NO/c1-16-13-20-10-12-26-24(20)22(14-16)23-21-8-7-18(15-19(21)9-11-25-23)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3
InChIKeyBIIXQLNNGPAEHD-UHFFFAOYSA-N
XLogP7.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258283
1-(5-cyclopentyl-1-benzofuran-7-yl)-6-methylisoquinoline
CID 167259555
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046
[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine
CID 175320635
6-(4,4-difluorocyclohexyl)-1-(4-fluoro-2,5-dimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258509
8-cyclohexyl-1-(3,5-dimethylphenyl)-4-methylbenzo[h]isoquinoline
CID 156512323
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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
The IUPAC name of 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline (CID 167258297) is 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline.
What is the SMILES notation for 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
The canonical SMILES for 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline is Cc1cc(-c2nccc3cc(C4CCCCC4)ccc23)c2occc2c1.
What is the InChIKey of 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
The InChIKey is BIIXQLNNGPAEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-16-13-20-10-12-26-24(20)22(14-16)23-21-8-7-18(15-19(21)9-11-25-23)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline?
6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline has a molecular weight of 341.45 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline is sourced from PubChem (CID 167258297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).