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

C23H14N2O3 — CID 3086798

IUPAC6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESO=C(c1ccccc1)N1c2ccccc2N=Cc2c1oc1ccccc1c2=O
InChIInChI=1S/C23H14N2O3/c26-21-16-10-4-7-13-20(16)28-23-17(21)14-24-18-11-5-6-12-19(18)25(23)22(27)15-8-2-1-3-9-15/h1-14H
InChIKeyIVKZRTQGAILYNN-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.84
Rot. Bonds1

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

6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one (PubChem CID 3086798) has the molecular formula C23H14N2O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one.

Molecular Properties

Compound Name6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one
PubChem CID3086798
Molecular FormulaC23H14N2O3
Molecular Weight366.38 g/mol
Exact Mass366.10
IUPAC Name6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one
SMILESO=C(c1ccccc1)N1c2ccccc2N=Cc2c1oc1ccccc1c2=O
InChIInChI=1S/C23H14N2O3/c26-21-16-10-4-7-13-20(16)28-23-17(21)14-24-18-11-5-6-12-19(18)25(23)22(27)15-8-2-1-3-9-15/h1-14H
InChIKeyIVKZRTQGAILYNN-UHFFFAOYSA-N
XLogP4.84
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The IUPAC name of 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one (CID 3086798) is 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one.
What is the SMILES notation for 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The canonical SMILES for 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one is O=C(c1ccccc1)N1c2ccccc2N=Cc2c1oc1ccccc1c2=O.
What is the InChIKey of 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one?
The InChIKey is IVKZRTQGAILYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O3/c26-21-16-10-4-7-13-20(16)28-23-17(21)14-24-18-11-5-6-12-19(18)25(23)22(27)15-8-2-1-3-9-15/h1-14H.
What are the key properties of 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one?
6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one has a molecular weight of 366.38 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one is sourced from PubChem (CID 3086798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).