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

C₁₀H₁₀N₂O₄CAS 28888-44-0222.20 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation93.5% of notifiers
H319 Causes serious eye irritation93.5% of notifiers
H335 May cause respiratory irritation89.1% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 Quinazolinedione86-96-444 % similar 2,3,6,7,10,11-Hexamethoxytriphenylene808-57-143 % similar 4-Amino-2-chloro-6,7-dimethoxyquinazoline23680-84-442 % similar 4-Chloro-6,7-dimethoxyquinoline35654-56-941 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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