8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine

C30H30N2O — CID 169055462

IUPAC8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ncc(C)c3cc(C4CCC(C)(C)C4)ccc23)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C30H30N2O/c1-17-12-25-23-8-6-19(3)32-29(23)33-28(25)26(13-17)27-22-9-7-20(14-24(22)18(2)16-31-27)21-10-11-30(4,5)15-21/h6-9,12-14,16,21H,10-11,15H2,1-5H3
InChIKeyQEQKKGQMMMJOFD-UHFFFAOYSA-N
MW434.58 g/mol
LogP8.42
Rot. Bonds2

About 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine

8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 169055462) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID169055462
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ncc(C)c3cc(C4CCC(C)(C)C4)ccc23)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C30H30N2O/c1-17-12-25-23-8-6-19(3)32-29(23)33-28(25)26(13-17)27-22-9-7-20(14-24(22)18(2)16-31-27)21-10-11-30(4,5)15-21/h6-9,12-14,16,21H,10-11,15H2,1-5H3
InChIKeyQEQKKGQMMMJOFD-UHFFFAOYSA-N
XLogP8.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 169055491
2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 169055476
7-(3,3-dimethylcyclopentyl)-2,3-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
CID 169055388
7-(3,3-dimethylcyclopentyl)-1-(3-methyl-9H-fluoren-1-yl)-4-(4-methylphenyl)isoquinoline
CID 170221173
6-(3,3-dimethylcyclopentyl)-1-(3,5-dimethylphenyl)-3-methylisoquinoline
CID 170222364
8-[4-(4,4-dimethylcyclohexyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 169053786
6-[5-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-3-phenyl-2-(trideuteriomethyl)phenoxy]-8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-methylphenyl]-5-methyl-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 163785591
1-chloro-6-(3,3-dimethylcyclopentyl)isoquinoline
CID 171430158
8-[(3S)-3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 137454841
3-cyclopentyl-7-(3,3-dimethylcyclopentyl)-1-(3-methyl-9H-fluoren-1-yl)isoquinoline
CID 170221187
4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683606
6-(4,4-difluorocyclohexyl)-1-(4-fluoro-2,5-dimethyl-1-benzofuran-7-yl)isoquinoline
CID 167258509

Frequently Asked Questions

What is the IUPAC name of 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 169055462) is 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2ncc(C)c3cc(C4CCC(C)(C)C4)ccc23)c2oc3nc(C)ccc3c2c1.
What is the InChIKey of 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is QEQKKGQMMMJOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-17-12-25-23-8-6-19(3)32-29(23)33-28(25)26(13-17)27-22-9-7-20(14-24(22)18(2)16-31-27)21-10-11-30(4,5)15-21/h6-9,12-14,16,21H,10-11,15H2,1-5H3.
What are the key properties of 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 434.58 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 169055462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).