Sapitinib

C₂₃H₂₅ClFN₅O₃CAS 848942-61-0473.93 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₃H₂₅ClFN₅O₃
Molar mass: 473.93 g/mol
Exact mass: 473.1630 Da
logP: 4.60Crippen estimate
Polar surface area: 92.1 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

848942-61-0

SMILES

CN=C(O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1

InChIKey

DFJSJLGUIXFDJP-UHFFFAOYSA-N

InChI

InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)

Weigh it out

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

Names and synonyms

6 names

1-Piperidineacetamide, 4-[[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-N-methyl-
4-[[4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-N-methyl-1-piperidineacetamide
4-(3-Chloro-2-fluoroanilino)-7-methoxy-6-[[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy]quinazoline
AZD 8931
Sapatinib
2-[4-[4-(3-Chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide

Work with Sapitinib

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

Poziotinib1092364-38-957 % similar Zorifertinib1626387-80-152 % similar Zm 306416690206-97-443 % similar Dacomitinib1110813-31-441 % similar Gefitinib184475-35-241 % similar (S)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide439081-18-240 % similar Afatinib850140-72-640 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook