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

C16H14BrN3O2CAS 153436-54-5360.21 g/mol

Open in Covalent MOL file
ONNNHBrO
Aryl halideEtherSecondary 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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

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)

Weigh it out

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

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 4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline196603-96-053 % similar Zm 306416690206-97-452 % similar Erlotinib183321-74-652 % similar Erlotinib hydrochloride183319-69-952 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol184475-71-650 % similar N-[4-[(3-Bromophenyl)amino]-6-quinazolinyl]-2-butynamide194423-06-850 % similar Icotinib610798-31-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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