3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one

C15H19N3O — CID 70607798

IUPAC3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one
SMILESCCN(CC)CCc1ncc2ccccc2nc1=O
InChIInChI=1S/C15H19N3O/c1-3-18(4-2)10-9-14-15(19)17-13-8-6-5-7-12(13)11-16-14/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyWLSMYTGACLSVSD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.87
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one

3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one (PubChem CID 70607798) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one
PubChem CID70607798
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one
SMILESCCN(CC)CCc1ncc2ccccc2nc1=O
InChIInChI=1S/C15H19N3O/c1-3-18(4-2)10-9-14-15(19)17-13-8-6-5-7-12(13)11-16-14/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyWLSMYTGACLSVSD-UHFFFAOYSA-N
XLogP1.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-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 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one (CID 70607798) is 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one is CCN(CC)CCc1ncc2ccccc2nc1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one?
The InChIKey is WLSMYTGACLSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-18(4-2)10-9-14-15(19)17-13-8-6-5-7-12(13)11-16-14/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one?
3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-1,4-benzodiazepin-2-one is sourced from PubChem (CID 70607798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).