1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione

C25H19N3O3 — CID 171349441

IUPAC1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione
SMILESO=C1OCC2=C1C1(Nc3ccccc3N2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H19N3O3/c29-23-22-20(15-31-23)26-18-11-5-6-12-19(18)27-25(22)17-10-4-7-13-21(17)28(24(25)30)14-16-8-2-1-3-9-16/h1-13,26-27H,14-15H2
InChIKeyCCSUTHDDOVPWFY-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.78
Rot. Bonds2

About 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione

1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione (PubChem CID 171349441) has the molecular formula C25H19N3O3 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione.

Molecular Properties

Compound Name1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione
PubChem CID171349441
Molecular FormulaC25H19N3O3
Molecular Weight409.44 g/mol
Exact Mass409.14
IUPAC Name1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione
SMILESO=C1OCC2=C1C1(Nc3ccccc3N2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C25H19N3O3/c29-23-22-20(15-31-23)26-18-11-5-6-12-19(18)27-25(22)17-10-4-7-13-21(17)28(24(25)30)14-16-8-2-1-3-9-16/h1-13,26-27H,14-15H2
InChIKeyCCSUTHDDOVPWFY-UHFFFAOYSA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione?
The IUPAC name of 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione (CID 171349441) is 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione.
What is the SMILES notation for 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione?
The canonical SMILES for 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione is O=C1OCC2=C1C1(Nc3ccccc3N2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione?
The InChIKey is CCSUTHDDOVPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c29-23-22-20(15-31-23)26-18-11-5-6-12-19(18)27-25(22)17-10-4-7-13-21(17)28(24(25)30)14-16-8-2-1-3-9-16/h1-13,26-27H,14-15H2.
What are the key properties of 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione?
1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione has a molecular weight of 409.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[5,10-dihydro-1H-furo[3,4-c][1,5]benzodiazepine-4,3'-indole]-2',3-dione is sourced from PubChem (CID 171349441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).