N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide

C29H36N4O4 — CID 22343810

IUPACN-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(NC(=O)CN(C)C3CCNC3=O)c1)=NC(C)(C)C2
InChIInChI=1S/C29H36N4O4/c1-28(2)14-18-13-22(36-6)26-20(15-29(3,4)37-26)24(18)25(32-28)17-8-7-9-19(12-17)31-23(34)16-33(5)21-10-11-30-27(21)35/h7-9,12-13,21H,10-11,14-16H2,1-6H3,(H,30,35)(H,31,34)
InChIKeyAIQZJGONCPYUQX-UHFFFAOYSA-N
MW504.63 g/mol
LogP3.34
Rot. Bonds6

About N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide

N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide (PubChem CID 22343810) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide
PubChem CID22343810
Molecular FormulaC29H36N4O4
Molecular Weight504.63 g/mol
Exact Mass504.27
IUPAC NameN-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(NC(=O)CN(C)C3CCNC3=O)c1)=NC(C)(C)C2
InChIInChI=1S/C29H36N4O4/c1-28(2)14-18-13-22(36-6)26-20(15-29(3,4)37-26)24(18)25(32-28)17-8-7-9-19(12-17)31-23(34)16-33(5)21-10-11-30-27(21)35/h7-9,12-13,21H,10-11,14-16H2,1-6H3,(H,30,35)(H,31,34)
InChIKeyAIQZJGONCPYUQX-UHFFFAOYSA-N
XLogP3.34
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide with MolForge

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Related Compounds

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
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
2-chloro-N-[3-(6-ethoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]acetamide
CID 22344025
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
1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
CID 22344067
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
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
N-[4-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]phenyl]methanesulfonamide
CID 22344007
methyl 2-(4-acetamidophenyl)-4-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoate
CID 139959628
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
6-methoxy-3,3,8,8-tetramethyl-1-(4-methylsulfinylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343852

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide (CID 22343810) is N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide is COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(NC(=O)CN(C)C3CCNC3=O)c1)=NC(C)(C)C2.
What is the InChIKey of N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide?
The InChIKey is AIQZJGONCPYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-28(2)14-18-13-22(36-6)26-20(15-29(3,4)37-26)24(18)25(32-28)17-8-7-9-19(12-17)31-23(34)16-33(5)21-10-11-30-27(21)35/h7-9,12-13,21H,10-11,14-16H2,1-6H3,(H,30,35)(H,31,34).
What are the key properties of N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide?
N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide has a molecular weight of 504.63 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-[methyl-(2-oxopyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 22343810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).