Ethyl 4-quinazolone-2-carboxylate

C₁₁H₁₀N₂O₃CAS 29113-33-5218.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀N₂O₃
Molar mass: 218.21 g/mol
Exact mass: 218.0691 Da
logP: 1.10Crippen estimate
Polar surface area: 72.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

29113-33-5

SMILES

CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1

InChIKey

BMCAWNQKVVTNFP-UHFFFAOYSA-N

InChI

InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)

Weigh it out

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

Names and synonyms

1 names

Ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate

Work with Ethyl 4-quinazolone-2-carboxylate

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

1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-467 % similar Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate40059-53-851 % similar Ethyl 3-indazolecarboxylate4498-68-447 % similar Ethyl 4-chloro-3-quinolinecarboxylate13720-94-046 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-345 % similar Diethyl phthalate84-66-245 % similar Diethyl 2,3-quinolinedicarboxylate32413-08-445 % similar Ethyl 3-bromoindole-2-carboxylate91348-45-745 % similar

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

Same formula

Mequindox13297-17-1 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid60875-16-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook