6-(Phenylamino)-5,8-quinolinedione

C₁₅H₁₀N₂O₂CAS 91300-60-6250.26 g/mol

Open in Covalent MOL file

Alkene Ketone Secondary amine

Properties

Molecular formula: C₁₅H₁₀N₂O₂
Molar mass: 250.26 g/mol
Exact mass: 250.0742 Da
logP: 2.46Crippen estimate
Polar surface area: 59.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

91300-60-6

SMILES

O=C1C(Nc2ccccc2)=CC(=O)c2ncccc21

InChIKey

GXIJYWUWLNHKNW-UHFFFAOYSA-N

InChI

InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H

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Names and synonyms

5 names

5,8-Quinolinedione, 6-(phenylamino)-
LY 83583
5,8-Dihydro-5,8-dioxo-6-(phenylamino)quinoline
6-Anilinoquinoline-5,8-quinone
Comr 2029

Work with 6-(Phenylamino)-5,8-quinolinedione

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

6-(Phenylmethyl)-5H-pyrrolo[3,4-B]pyridine-5,7(6H)-dione18184-75-335 % similar Furo[3,4-B]pyridine-5,7-dione699-98-935 % similar Quinolinic acid89-00-935 % similar 3-(Phenylamino)-2-cyclohexen-1-one24706-50-135 % similar Oxanilide620-81-534 % similar Menadione58-27-534 % similar Lawsone83-72-734 % similar 5H-Pyrrolo[3,4-B]pyridine-5,7(6H)-dione4664-00-033 % similar

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

Same formula

Methylene diphenyl diisocyanate101-68-8

Elsewhere

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