6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one

C16H12N2O — CID 14381890

IUPAC6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one
SMILESO=C1c2ccccc2C2=NCc3ccccc3CN12
InChIInChI=1S/C16H12N2O/c19-16-14-8-4-3-7-13(14)15-17-9-11-5-1-2-6-12(11)10-18(15)16/h1-8H,9-10H2
InChIKeyDNZWCXNBOOTAHT-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.60
Rot. Bonds

About 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one

6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one (PubChem CID 14381890) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one.

Molecular Properties

Compound Name6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one
PubChem CID14381890
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one
SMILESO=C1c2ccccc2C2=NCc3ccccc3CN12
InChIInChI=1S/C16H12N2O/c19-16-14-8-4-3-7-13(14)15-17-9-11-5-1-2-6-12(11)10-18(15)16/h1-8H,9-10H2
InChIKeyDNZWCXNBOOTAHT-UHFFFAOYSA-N
XLogP2.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one?
The IUPAC name of 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one (CID 14381890) is 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one.
What is the SMILES notation for 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one?
The canonical SMILES for 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one is O=C1c2ccccc2C2=NCc3ccccc3CN12.
What is the InChIKey of 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one?
The InChIKey is DNZWCXNBOOTAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-14-8-4-3-7-13(14)15-17-9-11-5-1-2-6-12(11)10-18(15)16/h1-8H,9-10H2.
What are the key properties of 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one?
6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one has a molecular weight of 248.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-one is sourced from PubChem (CID 14381890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).