(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one

C23H19NO2 — CID 23244321

IUPAC(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one
SMILESCOc1ccc2c(c1)[C@H](C)N1C(=O)c3ccccc3[C@]21c1ccccc1
InChIInChI=1S/C23H19NO2/c1-15-19-14-17(26-2)12-13-21(19)23(16-8-4-3-5-9-16)20-11-7-6-10-18(20)22(25)24(15)23/h3-15H,1-2H3/t15-,23+/m0/s1
InChIKeyGNSLXCLKWSLJMB-NPMXOYFQSA-N
MW341.41 g/mol
LogP4.52
Rot. Bonds2

About (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one

(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one (PubChem CID 23244321) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one.

Molecular Properties

Compound Name(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one
PubChem CID23244321
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one
SMILESCOc1ccc2c(c1)[C@H](C)N1C(=O)c3ccccc3[C@]21c1ccccc1
InChIInChI=1S/C23H19NO2/c1-15-19-14-17(26-2)12-13-21(19)23(16-8-4-3-5-9-16)20-11-7-6-10-18(20)22(25)24(15)23/h3-15H,1-2H3/t15-,23+/m0/s1
InChIKeyGNSLXCLKWSLJMB-NPMXOYFQSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one with MolForge

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Related Compounds

2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
(4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one
CID 51688704
(3S)-3-(4-methoxyanilino)-2-(4-methoxyphenyl)-3-phenylisoindol-1-one
CID 41022145
2-methyl-3-[4-(4-methylphenoxy)phenyl]-3-(4-methylphenyl)isoindol-1-one
CID 58963193
1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole
CID 139396097
(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94572005
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one
CID 67945980
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)isoindole-1,3-dione;hydrochloride
CID 122444716
2-benzyl-7-methoxy-1-methyl-1,3-dihydroisoquinolin-4-one
CID 134913566
3-hydroxy-2-(4-methylcyclohexyl)-3-phenylisoindol-1-one
CID 5305502

Frequently Asked Questions

What is the IUPAC name of (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one?
The IUPAC name of (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one (CID 23244321) is (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one.
What is the SMILES notation for (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one?
The canonical SMILES for (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one is COc1ccc2c(c1)[C@H](C)N1C(=O)c3ccccc3[C@]21c1ccccc1.
What is the InChIKey of (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one?
The InChIKey is GNSLXCLKWSLJMB-NPMXOYFQSA-N. The full InChI is InChI=1S/C23H19NO2/c1-15-19-14-17(26-2)12-13-21(19)23(16-8-4-3-5-9-16)20-11-7-6-10-18(20)22(25)24(15)23/h3-15H,1-2H3/t15-,23+/m0/s1.
What are the key properties of (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one?
(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one has a molecular weight of 341.41 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one is sourced from PubChem (CID 23244321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).