pyrido[2,3-i][1,2]benzodiazepin-3-one

C12H7N3O — CID 67724117

IUPACpyrido[2,3-i][1,2]benzodiazepin-3-one
SMILESO=c1ccc2ccc3ncccc3c2nn1
InChIInChI=1S/C12H7N3O/c16-11-6-4-8-3-5-10-9(2-1-7-13-10)12(8)15-14-11/h1-7H
InChIKeyMGDDXKBVXQCWER-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.54
Rot. Bonds

About pyrido[2,3-i][1,2]benzodiazepin-3-one

pyrido[2,3-i][1,2]benzodiazepin-3-one (PubChem CID 67724117) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is pyrido[2,3-i][1,2]benzodiazepin-3-one.

Molecular Properties

Compound Namepyrido[2,3-i][1,2]benzodiazepin-3-one
PubChem CID67724117
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Namepyrido[2,3-i][1,2]benzodiazepin-3-one
SMILESO=c1ccc2ccc3ncccc3c2nn1
InChIInChI=1S/C12H7N3O/c16-11-6-4-8-3-5-10-9(2-1-7-13-10)12(8)15-14-11/h1-7H
InChIKeyMGDDXKBVXQCWER-UHFFFAOYSA-N
XLogP1.54
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze pyrido[2,3-i][1,2]benzodiazepin-3-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 pyrido[2,3-i][1,2]benzodiazepin-3-one?
The IUPAC name of pyrido[2,3-i][1,2]benzodiazepin-3-one (CID 67724117) is pyrido[2,3-i][1,2]benzodiazepin-3-one.
What is the SMILES notation for pyrido[2,3-i][1,2]benzodiazepin-3-one?
The canonical SMILES for pyrido[2,3-i][1,2]benzodiazepin-3-one is O=c1ccc2ccc3ncccc3c2nn1.
What is the InChIKey of pyrido[2,3-i][1,2]benzodiazepin-3-one?
The InChIKey is MGDDXKBVXQCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c16-11-6-4-8-3-5-10-9(2-1-7-13-10)12(8)15-14-11/h1-7H.
What are the key properties of pyrido[2,3-i][1,2]benzodiazepin-3-one?
pyrido[2,3-i][1,2]benzodiazepin-3-one has a molecular weight of 209.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-i][1,2]benzodiazepin-3-one is sourced from PubChem (CID 67724117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).