7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

C17H16N2O3 — CID 22762348

IUPAC7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCOc1cc2c(cc1OC)NC(=O)CC(c1ccccc1)=N2
InChIInChI=1S/C17H16N2O3/c1-21-15-8-13-14(9-16(15)22-2)19-17(20)10-12(18-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyXEBCZTXWYLBEGA-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.17
Rot. Bonds3

About 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 22762348) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID22762348
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCOc1cc2c(cc1OC)NC(=O)CC(c1ccccc1)=N2
InChIInChI=1S/C17H16N2O3/c1-21-15-8-13-14(9-16(15)22-2)19-17(20)10-12(18-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyXEBCZTXWYLBEGA-UHFFFAOYSA-N
XLogP3.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 22762348) is 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is COc1cc2c(cc1OC)NC(=O)CC(c1ccccc1)=N2.
What is the InChIKey of 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is XEBCZTXWYLBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-15-8-13-14(9-16(15)22-2)19-17(20)10-12(18-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one?
7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 296.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 22762348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).