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

C27H28N2O2 — CID 22343946

IUPAC6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(-c3ccccn3)cc1)=NC(C)(C)C2
InChIInChI=1S/C27H28N2O2/c1-26(2)15-19-14-22(30-5)25-20(16-27(3,4)31-25)23(19)24(29-26)18-11-9-17(10-12-18)21-8-6-7-13-28-21/h6-14H,15-16H2,1-5H3
InChIKeyWNASVOIEQSBHPV-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.64
Rot. Bonds3

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

6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (PubChem CID 22343946) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
PubChem CID22343946
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(-c3ccccn3)cc1)=NC(C)(C)C2
InChIInChI=1S/C27H28N2O2/c1-26(2)15-19-14-22(30-5)25-20(16-27(3,4)31-25)23(19)24(29-26)18-11-9-17(10-12-18)21-8-6-7-13-28-21/h6-14H,15-16H2,1-5H3
InChIKeyWNASVOIEQSBHPV-UHFFFAOYSA-N
XLogP5.64
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-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-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
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-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
CID 22344292
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
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-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]
CID 22343932
ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride
CID 139900656
2-[5-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]pyridine-4-carboxylic acid
CID 22344197
3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343835
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
methyl 2-(4-acetamidophenyl)-4-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoate
CID 139959628

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The IUPAC name of 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline (CID 22343946) is 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline.
What is the SMILES notation for 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The canonical SMILES for 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(-c3ccccn3)cc1)=NC(C)(C)C2.
What is the InChIKey of 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
The InChIKey is WNASVOIEQSBHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-26(2)15-19-14-22(30-5)25-20(16-27(3,4)31-25)23(19)24(29-26)18-11-9-17(10-12-18)21-8-6-7-13-28-21/h6-14H,15-16H2,1-5H3.
What are the key properties of 6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline?
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline has a molecular weight of 412.53 g/mol, XLogP of 5.64, 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-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline is sourced from PubChem (CID 22343946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).