methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate

C30H26N2O4 — CID 132539316

IUPACmethyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate
SMILESCOC(=O)[C@]12Cc3ccccc3CN1[C@@H](/C=C/c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12
InChIInChI=1S/C30H26N2O4/c1-36-29(35)30-18-21-12-8-9-13-22(21)19-31(30)24(17-16-20-10-4-2-5-11-20)25-26(30)28(34)32(27(25)33)23-14-6-3-7-15-23/h2-17,24-26H,18-19H2,1H3/b17-16+/t24-,25+,26-,30+/m0/s1
InChIKeyKNRSHLIYZFJVLM-NJCRRRADSA-N
MW478.55 g/mol
LogP3.86
Rot. Bonds4

About methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate

methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate (PubChem CID 132539316) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate.

Molecular Properties

Compound Namemethyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate
PubChem CID132539316
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Namemethyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate
SMILESCOC(=O)[C@]12Cc3ccccc3CN1[C@@H](/C=C/c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12
InChIInChI=1S/C30H26N2O4/c1-36-29(35)30-18-21-12-8-9-13-22(21)19-31(30)24(17-16-20-10-4-2-5-11-20)25-26(30)28(34)32(27(25)33)23-14-6-3-7-15-23/h2-17,24-26H,18-19H2,1H3/b17-16+/t24-,25+,26-,30+/m0/s1
InChIKeyKNRSHLIYZFJVLM-NJCRRRADSA-N
XLogP3.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3aS,4R,9aS,9bR)-1,3-dioxo-2-phenyl-4-[(E)-2-phenylethenyl]-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate
CID 132539309
methyl (1S,2R,6S,7R)-1,7,8,9,10-pentamethyl-3,5-dioxo-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-10-carboxylate
CID 101099996
dimethyl (1R,3aR,6aS)-2-methyl-4,6-dioxo-1,5-diphenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,3-dicarboxylate
CID 134924767
(3aS,4S,6R,6aR)-6-ethenyl-2-phenyl-4-[(Z)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 162435839
methyl (1R,3R,3aR,6aS)-1-(2-methylphenyl)-4,6-dioxo-3,5-diphenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 98109737
methyl (1S,3R,3aR,6aR)-1-(2-methylphenyl)-4,6-dioxo-3,5-diphenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 92561925
methyl (1R,3S,3aR,6aS)-3-methyl-1-(2-methylphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7401989
methyl (5aR,8aR,9S)-2-chloro-3,9-dimethyl-6,8-dioxo-7-phenyl-5a,8a-dihydro-5H-pyrrolo[3,4-g]quinoline-9-carboxylate
CID 11165451
methyl (1S,3R,3aR,6aR)-3-(hydroxymethyl)-1-(2-methylphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7402173
methyl (1S,3R,3aR,6aS)-1-(2-fluorophenyl)-3-methyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 124765522
methyl (1S,3R,3aR,6aR)-1-(2-fluorophenyl)-3-methyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 124765521
methyl (1S,3R,3aR,6aR)-1-(4-chlorophenyl)-3-methyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 124765458

Frequently Asked Questions

What is the IUPAC name of methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate?
The IUPAC name of methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate (CID 132539316) is methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate.
What is the SMILES notation for methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate?
The canonical SMILES for methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate is COC(=O)[C@]12Cc3ccccc3CN1[C@@H](/C=C/c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12.
What is the InChIKey of methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate?
The InChIKey is KNRSHLIYZFJVLM-NJCRRRADSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-36-29(35)30-18-21-12-8-9-13-22(21)19-31(30)24(17-16-20-10-4-2-5-11-20)25-26(30)28(34)32(27(25)33)23-14-6-3-7-15-23/h2-17,24-26H,18-19H2,1H3/b17-16+/t24-,25+,26-,30+/m0/s1.
What are the key properties of methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate?
methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10R,11R,15S,16S)-12,14-dioxo-13-phenyl-16-[(E)-2-phenylethenyl]-1,13-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-10-carboxylate is sourced from PubChem (CID 132539316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).