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

C23H27NO2S — CID 22343964

IUPAC6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(SC)c1)=NC(C)(C)C2
InChIInChI=1S/C23H27NO2S/c1-22(2)12-15-11-18(25-5)21-17(13-23(3,4)26-21)19(15)20(24-22)14-8-7-9-16(10-14)27-6/h7-11H,12-13H2,1-6H3
InChIKeyXVCSTZCZKCWXGG-UHFFFAOYSA-N
MW381.54 g/mol
LogP5.30
Rot. Bonds3

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

6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (PubChem CID 22343964) has the molecular formula C23H27NO2S and a molecular weight of 381.54 g/mol. Its IUPAC name is 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
PubChem CID22343964
Molecular FormulaC23H27NO2S
Molecular Weight381.54 g/mol
Exact Mass381.18
IUPAC Name6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(SC)c1)=NC(C)(C)C2
InChIInChI=1S/C23H27NO2S/c1-22(2)12-15-11-18(25-5)21-17(13-23(3,4)26-21)19(15)20(24-22)14-8-7-9-16(10-14)27-6/h7-11H,12-13H2,1-6H3
InChIKeyXVCSTZCZKCWXGG-UHFFFAOYSA-N
XLogP5.30
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.54
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343940
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838
N-[4-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]phenyl]methanesulfonamide
CID 22344007
1-(1,3-benzodioxol-5-yl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
CID 22344037
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
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
3-amino-N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]propanamide
CID 23076991
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
6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22344342

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (CID 22343964) is 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.
What is the SMILES notation for 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The canonical SMILES for 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(SC)c1)=NC(C)(C)C2.
What is the InChIKey of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The InChIKey is XVCSTZCZKCWXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2S/c1-22(2)12-15-11-18(25-5)21-17(13-23(3,4)26-21)19(15)20(24-22)14-8-7-9-16(10-14)27-6/h7-11H,12-13H2,1-6H3.
What are the key properties of 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline has a molecular weight of 381.54 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is sourced from PubChem (CID 22343964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).