6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one

C23H16N2O2 — CID 3086797

IUPAC6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESO=c1c2c(oc3ccccc13)N(Cc1ccccc1)c1ccccc1N=C2
InChIInChI=1S/C23H16N2O2/c26-22-17-10-4-7-13-21(17)27-23-18(22)14-24-19-11-5-6-12-20(19)25(23)15-16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyFWOVEZYLMUTLIA-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.20
Rot. Bonds2

About 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one

6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one (PubChem CID 3086797) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one.

Molecular Properties

Compound Name6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one
PubChem CID3086797
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESO=c1c2c(oc3ccccc13)N(Cc1ccccc1)c1ccccc1N=C2
InChIInChI=1S/C23H16N2O2/c26-22-17-10-4-7-13-21(17)27-23-18(22)14-24-19-11-5-6-12-20(19)25(23)15-16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyFWOVEZYLMUTLIA-UHFFFAOYSA-N
XLogP5.20
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The IUPAC name of 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one (CID 3086797) is 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one.
What is the SMILES notation for 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The canonical SMILES for 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one is O=c1c2c(oc3ccccc13)N(Cc1ccccc1)c1ccccc1N=C2.
What is the InChIKey of 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The InChIKey is FWOVEZYLMUTLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-22-17-10-4-7-13-21(17)27-23-18(22)14-24-19-11-5-6-12-20(19)25(23)15-16-8-2-1-3-9-16/h1-14H,15H2.
What are the key properties of 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one?
6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one has a molecular weight of 352.39 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one is sourced from PubChem (CID 3086797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).