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

C30H37N3O3 — CID 22344223

IUPACN-(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
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(C(=O)NC3CN4CCC3CC4)c1)=NC(C)(C)C2
InChIInChI=1S/C30H37N3O3/c1-29(2)15-21-14-24(35-5)27-22(16-30(3,4)36-27)25(21)26(32-29)19-7-6-8-20(13-19)28(34)31-23-17-33-11-9-18(23)10-12-33/h6-8,13-14,18,23H,9-12,15-17H2,1-5H3,(H,31,34)
InChIKeyRRBDEZICXXZQGT-UHFFFAOYSA-N
MW487.64 g/mol
LogP4.40
Rot. Bonds4

About 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

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 (PubChem CID 22344223) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID22344223
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-(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
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(C(=O)NC3CN4CCC3CC4)c1)=NC(C)(C)C2
InChIInChI=1S/C30H37N3O3/c1-29(2)15-21-14-24(35-5)27-22(16-30(3,4)36-27)25(21)26(32-29)19-7-6-8-20(13-19)28(34)31-23-17-33-11-9-18(23)10-12-33/h6-8,13-14,18,23H,9-12,15-17H2,1-5H3,(H,31,34)
InChIKeyRRBDEZICXXZQGT-UHFFFAOYSA-N
XLogP4.40
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343940
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-[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-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
methyl 2-(4-acetamidophenyl)-4-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoate
CID 139959628
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-(6-methoxy-3,3,8,8-tetramethyl-4-oxo-9H-furo[2,3-h]isoquinolin-1-yl)benzamide
CID 22343792
(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
CID 22344292
4-[[4-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 22343762
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
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 18182100
ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride
CID 139900656
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,5-dichlorophenyl)benzamide
CID 23599460

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(C(=O)NC3CN4CCC3CC4)c1)=NC(C)(C)C2.
What is the InChIKey of 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?
The InChIKey is RRBDEZICXXZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-29(2)15-21-14-24(35-5)27-22(16-30(3,4)36-27)25(21)26(32-29)19-7-6-8-20(13-19)28(34)31-23-17-33-11-9-18(23)10-12-33/h6-8,13-14,18,23H,9-12,15-17H2,1-5H3,(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 487.64 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22344223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).