Vandetanib

C₂₂H₂₄BrFN₄O₂CAS 443913-73-3475.36 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₂H₂₄BrFN₄O₂
Molar mass: 475.36 g/mol
Exact mass: 474.1067 Da
Melting point: 242 °C
logP: 5.00Crippen estimate
Polar surface area: 59.5 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed97.2% of notifiers
H360 May damage fertility or the unborn child11.1% of notifiers
H360Df May damage the unborn child; Suspected of damaging fertility80.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure97.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.2% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, P501

Identifiers

CAS number

443913-73-3

SMILES

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

InChIKey

UHTHHESEBZOYNR-UHFFFAOYSA-N

InChI

InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)

Weigh it out

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

Names and synonyms

12 names

4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-
N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine
ZD 6474
4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
Zactima
CH 331
Caprelsa
N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-amine
AZD 6474
AZD6474
AZD-6474

Work with Vandetanib

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

4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline196603-96-061 % similar Zm 306416690206-97-454 % similar 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-547 % similar Gefitinib184475-35-245 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-644 % similar Zorifertinib1626387-80-142 % similar Poziotinib1092364-38-940 % similar Sapitinib848942-61-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook