4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline

C₁₆H₁₄BrN₃O₂CAS 153436-54-5360.21 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine

Properties

Molecular formula: C₁₆H₁₄BrN₃O₂
Molar mass: 360.21 g/mol
Exact mass: 359.0269 Da
Melting point: 189–190 °C
logP: 4.15Crippen estimate
Polar surface area: 56.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

153436-54-5

SMILES

COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC

InChIKey

LSPANGZZENHZNJ-UHFFFAOYSA-N

InChI

InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)

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Names and synonyms

10 names

4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-
N-(3-Bromophenyl)-6,7-dimethoxy-4-quinazolinamine
PD 153035
WHI-P 79
AG 1517
SU 5271
4-(3-Bromophenylamino)-6,7-bis(methoxy)quinazoline
NSC 669364
(3-Bromophenyl)(6,7-dimethoxyquinazolin-4-yl)amine
GI 230329A

Work with 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline

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

N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-472 % similar Erlotinib183321-74-652 % similar Erlotinib hydrochloride183319-69-952 % similar N-[4-[(3-Bromophenyl)amino]-6-quinazolinyl]-2-butynamide194423-06-850 % similar Icotinib610798-31-749 % similar Gefitinib184475-35-248 % similar Vandetanib443913-73-347 % similar Dacomitinib1110813-31-439 % similar

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

Elsewhere

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