6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline

C23H27NO4S — CID 22343940

IUPAC6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(S(C)(=O)=O)c1)=NC(C)(C)C2
InChIInChI=1S/C23H27NO4S/c1-22(2)12-15-11-18(27-5)21-17(13-23(3,4)28-21)19(15)20(24-22)14-8-7-9-16(10-14)29(6,25)26/h7-11H,12-13H2,1-6H3
InChIKeyQXOKYITYDYJOBN-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.98
Rot. Bonds3

About 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline

6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (PubChem CID 22343940) has the molecular formula C23H27NO4S and a molecular weight of 413.54 g/mol. Its IUPAC name is 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
PubChem CID22343940
Molecular FormulaC23H27NO4S
Molecular Weight413.54 g/mol
Exact Mass413.17
IUPAC Name6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(S(C)(=O)=O)c1)=NC(C)(C)C2
InChIInChI=1S/C23H27NO4S/c1-22(2)12-15-11-18(27-5)21-17(13-23(3,4)28-21)19(15)20(24-22)14-8-7-9-16(10-14)29(6,25)26/h7-11H,12-13H2,1-6H3
InChIKeyQXOKYITYDYJOBN-UHFFFAOYSA-N
XLogP3.98
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline with MolForge

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Related Compounds

N-[4-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]phenyl]methanesulfonamide
CID 22344007
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
CID 22344067
6-methoxy-3,3,8,8-tetramethyl-1-(4-methylsulfinylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343852
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
N'-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]butanediamide
CID 23076756
methyl 5-acetamido-2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]benzoate
CID 139959683
tert-butyl N-[3-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)anilino]-3-oxopropyl]carbamate
CID 86605068
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzamide
CID 22344223
ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate
CID 91472026
N-[3-(4-methoxy-2,2,8,8-tetramethyl-1,9-dihydrofuro[3,2-f]isoquinolin-6-yl)phenyl]methanesulfonamide
CID 139945956

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (CID 22343940) is 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.
What is the SMILES notation for 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The canonical SMILES for 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(S(C)(=O)=O)c1)=NC(C)(C)C2.
What is the InChIKey of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The InChIKey is QXOKYITYDYJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4S/c1-22(2)12-15-11-18(27-5)21-17(13-23(3,4)28-21)19(15)20(24-22)14-8-7-9-16(10-14)29(6,25)26/h7-11H,12-13H2,1-6H3.
What are the key properties of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline has a molecular weight of 413.54 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is sourced from PubChem (CID 22343940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).