chempirical

6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione

C10H10N2O4CAS 28888-44-0222.20 g/mol

Open in Covalent MOL file
ONOHNOHO
EtherPhenol

Properties

Molecular formula
C10H10N2O4
Molar mass
222.20 g/mol
Exact mass
222.0641 Da
Melting point
320–324 °C
logP
1.06Crippen estimate
Polar surface area
84.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
28888-44-0
SMILES
COc1cc2nc(O)nc(O)c2cc1OC
InChIKey
KWNQIIMVPSMYEM-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)

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Names and synonyms

6 names
  • 2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-
  • 6,7-Dimethoxyquinazoline-2,4-dione
  • 2,5-Dihydroxy-6,7-dimethoxyquinazoline
  • 6,7-Dimethoxy-1H-quinazoline-2,4-dione
  • 6,7-Dimethoxyquinazoline-2,4-diol
  • 6,7-Dimethoxyquinazolin-2,4(1H,3H)-dione

Work with 6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione

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

5-Methoxyuracil6623-81-050 % similar 6-Hydroxy-7-methoxy-4(3H)-quinazolinone179688-52-946 % similar 2,4-Dichloro-6,7-dimethoxyquinazoline27631-29-446 % similar 4-Amino-2-chloro-6,7-dimethoxyquinazoline23680-84-442 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-240 % similar 6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one179688-29-038 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-736 % similar 3-Methoxy-2(1H)-pyridinone20928-63-636 % similar

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

Elsewhere

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