phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate

C28H27NO8 — CID 71506452

IUPACphenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate
SMILESCOc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C(=O)Oc1ccccc1
InChIInChI=1S/C28H27NO8/c1-31-20-10-9-18-19(24(20)32-2)14-34-25(18)23-22-16(13-21-26(27(22)33-3)36-15-35-21)11-12-29(23)28(30)37-17-7-5-4-6-8-17/h4-10,13,23,25H,11-12,14-15H2,1-3H3/t23-,25+/m1/s1
InChIKeyAJDYYUDQBORAEU-NOZRDPDXSA-N
MW505.52 g/mol
LogP4.81
Rot. Bonds5

About phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate

phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate (PubChem CID 71506452) has the molecular formula C28H27NO8 and a molecular weight of 505.52 g/mol. Its IUPAC name is phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate.

Molecular Properties

Compound Namephenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate
PubChem CID71506452
Molecular FormulaC28H27NO8
Molecular Weight505.52 g/mol
Exact Mass505.17
IUPAC Namephenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate
SMILESCOc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C(=O)Oc1ccccc1
InChIInChI=1S/C28H27NO8/c1-31-20-10-9-18-19(24(20)32-2)14-34-25(18)23-22-16(13-21-26(27(22)33-3)36-15-35-21)11-12-29(23)28(30)37-17-7-5-4-6-8-17/h4-10,13,23,25H,11-12,14-15H2,1-3H3/t23-,25+/m1/s1
InChIKeyAJDYYUDQBORAEU-NOZRDPDXSA-N
XLogP4.81
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[(5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]-2-phenylethanone
CID 71506266
(5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-N-pentyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 71506456
(5R)-N-(4-chlorophenyl)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbothioamide
CID 71504081
CID 158150328
CID 158150328
CID 91805446
CID 91805446
(5R)-9-chloro-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-N,N-diethyl-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 86287595
CID 158899078
CID 158899078
acetic acid;(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
CID 174998224
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrobromide
CID 175174260
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one;hydron;chloride
CID 657273
[(1S)-5-methoxy-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-oxo-1H-2-benzofuran-4-yl] N-benzylcarbamate
CID 71491496
5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-methoxy-N-(4-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbothioamide
CID 12019781

Frequently Asked Questions

What is the IUPAC name of phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate?
The IUPAC name of phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate (CID 71506452) is phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate.
What is the SMILES notation for phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate?
The canonical SMILES for phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate is COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate?
The InChIKey is AJDYYUDQBORAEU-NOZRDPDXSA-N. The full InChI is InChI=1S/C28H27NO8/c1-31-20-10-9-18-19(24(20)32-2)14-34-25(18)23-22-16(13-21-26(27(22)33-3)36-15-35-21)11-12-29(23)28(30)37-17-7-5-4-6-8-17/h4-10,13,23,25H,11-12,14-15H2,1-3H3/t23-,25+/m1/s1.
What are the key properties of phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate?
phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate has a molecular weight of 505.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5R)-5-[(1S)-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate is sourced from PubChem (CID 71506452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).