Cediranib

C₂₅H₂₇FN₄O₃CAS 288383-20-0450.51 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₂₅H₂₇FN₄O₃
Molar mass: 450.51 g/mol
Exact mass: 450.2067 Da
logP: 5.22Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 8

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation20% of notifiers
H361 Suspected of damaging fertility or the unborn child80% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure80% of notifiers
H410 Very toxic to aquatic life with long lasting effects80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P316, P302+P352, P317, P318, P319, P321, P330, P332+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

288383-20-0

SMILES

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

InChIKey

XXJWYDDUDKYVKI-UHFFFAOYSA-N

InChI

InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Quinazoline, 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-
4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]quinazoline
4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
AZD 2171
ZD 2171
4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
AZD2171
AZD-2171

Work with Cediranib

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

7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-247 % similar Gefitinib184475-35-244 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-643 % similar Brivanib649735-46-642 % similar Tandutinib387867-13-240 % similar Foretinib849217-64-733 % similar 4,5-Difluoro-2-methylindole85462-60-833 % similar 7-(Benzyloxy)-4-chloro-6-methoxyquinazoline162364-72-932 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook