[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

C26H23NO4 — CID 7278772

IUPAC[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
SMILESC[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O[C@@H]3CCOC3=O)c2C1
InChIInChI=1S/C26H23NO4/c1-16-13-18(15-17-7-3-2-4-8-17)24-20(14-16)23(19-9-5-6-10-21(19)27-24)26(29)31-22-11-12-30-25(22)28/h2-10,15-16,22H,11-14H2,1H3/b18-15+/t16-,22+/m0/s1
InChIKeyYLOAADSXTSFJCN-FLCICEBXSA-N
MW413.47 g/mol
LogP4.83
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 7278772) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID7278772
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
SMILESC[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O[C@@H]3CCOC3=O)c2C1
InChIInChI=1S/C26H23NO4/c1-16-13-18(15-17-7-3-2-4-8-17)24-20(14-16)23(19-9-5-6-10-21(19)27-24)26(29)31-22-11-12-30-25(22)28/h2-10,15-16,22H,11-14H2,1H3/b18-15+/t16-,22+/m0/s1
InChIKeyYLOAADSXTSFJCN-FLCICEBXSA-N
XLogP4.83
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate with MolForge

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Related Compounds

(2-oxooxolan-3-yl) 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3610287
[(3S)-2-oxooxolan-3-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2380223
(2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7062766
phenacyl 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 3929787
(3,3-dimethyl-2-oxobutyl) (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7198861
(3,3-dimethyl-2-oxobutyl) 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 5175008
[(1R)-1-cyanoethyl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7198854
(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4310835
(2-oxooxolan-3-yl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 18777063
[2-(4-ethylphenyl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 5135825
[(3R)-2-oxooxolan-3-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2600020
4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4023473

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate (CID 7278772) is [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate is C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O[C@@H]3CCOC3=O)c2C1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is YLOAADSXTSFJCN-FLCICEBXSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-13-18(15-17-7-3-2-4-8-17)24-20(14-16)23(19-9-5-6-10-21(19)27-24)26(29)31-22-11-12-30-25(22)28/h2-10,15-16,22H,11-14H2,1H3/b18-15+/t16-,22+/m0/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 7278772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).