chempirical

Tandutinib

C31H42N6O4CAS 387867-13-2562.72 g/mol

Open in Covalent MOL file
ONNONHONNON
EtherTertiary amineUrea

Properties

Molecular formula
C31H42N6O4
Molar mass
562.72 g/mol
Exact mass
562.3268 Da
logP
5.03Crippen estimate
Polar surface area
92.3 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
10

Identifiers

CAS number
387867-13-2
SMILES
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1
InChIKey
UXXQOJXBIDBUAC-UHFFFAOYSA-N
InChI
InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)

Weigh it out

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

Names and synonyms

6 names
  • 1-Piperazinecarboxamide, 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[4-(1-methylethoxy)phenyl]-
  • 4-[6-Methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[4-(1-methylethoxy)phenyl]-1-piperazinecarboxamide
  • [4-[6-Methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl]piperazinyl]-N-[4-(methylethoxy)phenyl]carboxamide
  • CT 53518
  • MLN 518
  • MLN 0518

Work with Tandutinib

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

Gefitinib184475-35-244 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-243 % similar Cediranib288383-20-040 % similar Foretinib849217-64-737 % similar Dacomitinib1110813-31-434 % similar Cabozantinib849217-68-132 % similar Canertinib dihydrochloride289499-45-231 % similar Canertinib267243-28-731 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook