2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

C24H20N2O3 — CID 2876756

IUPAC2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SMILESO=C1CCCC2=C1C(c1ccco1)Nc1ccc(C(=O)c3ccccc3)cc1N2
InChIInChI=1S/C24H20N2O3/c27-20-9-4-8-18-22(20)23(21-10-5-13-29-21)26-17-12-11-16(14-19(17)25-18)24(28)15-6-2-1-3-7-15/h1-3,5-7,10-14,23,25-26H,4,8-9H2
InChIKeyQHMYZMIWFOFJGF-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.10
Rot. Bonds3

About 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one (PubChem CID 2876756) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.

Molecular Properties

Compound Name2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
PubChem CID2876756
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SMILESO=C1CCCC2=C1C(c1ccco1)Nc1ccc(C(=O)c3ccccc3)cc1N2
InChIInChI=1S/C24H20N2O3/c27-20-9-4-8-18-22(20)23(21-10-5-13-29-21)26-17-12-11-16(14-19(17)25-18)24(28)15-6-2-1-3-7-15/h1-3,5-7,10-14,23,25-26H,4,8-9H2
InChIKeyQHMYZMIWFOFJGF-UHFFFAOYSA-N
XLogP5.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-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 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one?
The IUPAC name of 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one (CID 2876756) is 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
What is the SMILES notation for 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one?
The canonical SMILES for 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one is O=C1CCCC2=C1C(c1ccco1)Nc1ccc(C(=O)c3ccccc3)cc1N2.
What is the InChIKey of 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one?
The InChIKey is QHMYZMIWFOFJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-20-9-4-8-18-22(20)23(21-10-5-13-29-21)26-17-12-11-16(14-19(17)25-18)24(28)15-6-2-1-3-7-15/h1-3,5-7,10-14,23,25-26H,4,8-9H2.
What are the key properties of 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one?
2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one has a molecular weight of 384.44 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-6-(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one is sourced from PubChem (CID 2876756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).