2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine

C27H26N2O — CID 169055476

IUPAC2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ncc(C)c3c(CC(C)C)cccc23)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C27H26N2O/c1-15(2)11-19-7-6-8-21-24(19)17(4)14-28-25(21)23-13-16(3)12-22-20-10-9-18(5)29-27(20)30-26(22)23/h6-10,12-15H,11H2,1-5H3
InChIKeyUVGZYPQVQKTONU-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.32
Rot. Bonds3

About 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine

2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 169055476) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID169055476
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ncc(C)c3c(CC(C)C)cccc23)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C27H26N2O/c1-15(2)11-19-7-6-8-21-24(19)17(4)14-28-25(21)23-13-16(3)12-22-20-10-9-18(5)29-27(20)30-26(22)23/h6-10,12-15H,11H2,1-5H3
InChIKeyUVGZYPQVQKTONU-UHFFFAOYSA-N
XLogP7.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[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
8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 169055462
2-methyl-8-[5-methyl-4-(3-methylbutan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 166498835
2,7-dimethyl-8-[1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 161317180
8-[4-(1,1-dideuterioethyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 157270726
1,4-dimethyl-5-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinazolin-1-ium
CID 169055601
5-fluoro-1-(2-methyldibenzofuran-4-yl)-4-propan-2-ylisoquinoline
CID 170683645
2,6-dimethyl-8-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 170140370
2-(2,6-dimethyl-4-phenylphenyl)-8-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827656
2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 135243113
8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 155629009
1-methyl-5-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinazolin-1-ium
CID 169055457

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 169055476) is 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2ncc(C)c3c(CC(C)C)cccc23)c2oc3nc(C)ccc3c2c1.
What is the InChIKey of 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UVGZYPQVQKTONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-15(2)11-19-7-6-8-21-24(19)17(4)14-28-25(21)23-13-16(3)12-22-20-10-9-18(5)29-27(20)30-26(22)23/h6-10,12-15H,11H2,1-5H3.
What are the key properties of 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine?
2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 394.52 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 169055476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).