chempirical

5,11-Dihydro-6H-pyrido[2,3-B][1,4]benzodiazepin-6-one

C12H9N3OCAS 885-70-1211.22 g/mol

Open in Covalent MOL file
ONHNNH
Secondary amine

Properties

Molecular formula
C12H9N3O
Molar mass
211.22 g/mol
Exact mass
211.0746 Da
Melting point
183 °C
logP
2.77Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
885-70-1
SMILES
OC1=Nc2cccnc2Nc2ccccc21
InChIKey
MIRBIZDDMSFTKY-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-
  • 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 1,5-dihydro-
  • LS 75

Work with 5,11-Dihydro-6H-pyrido[2,3-B][1,4]benzodiazepin-6-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

8-Chloro-5,10-dihydro-11H-dibenzo[B,E][1,4]diazepin-11-one50892-62-149 % similar Boscalid188425-85-643 % similar Dibenzo[B,F][1,4]thiazepin-11(10H)-one3159-07-740 % similar Clonixin17737-65-440 % similar 5H-Pyrrolo[3,4-B]pyridine-5,7(6H)-dione4664-00-040 % similar Naphtholactam130-00-739 % similar Flunixin38677-85-937 % similar Pirenzepine hydrochloride29868-97-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-[4-(2,2-Dicyanoethenyl)phenyl]acetamide26088-79-9 Milrinone78415-72-2

Elsewhere

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