Naquotinib MesylateProduct ingredient for Naquotinib
- Name
- Naquotinib Mesylate
- Drug Entry
- Naquotinib
Naquotinib has been used in trials studying the treatment of Solid Tumors, Non-small Cell Lung Cancer, Non-Small-Cell Lung Cancer (NSCLC), Epidermal Growth Factor Receptor Mutations, and Epidermal Growth Factor Receptor (EGFR) Mutations, among others.
- Accession Number
- DBSALT002126
- Structure
- Synonyms
- Not Available
- UNII
- 12T09LV21O
- CAS Number
- 1448237-05-5
- Weight
- Average: 658.82
Monoisotopic: 658.326102407 - Chemical Formula
- C31H46N8O6S
- InChI Key
- ALDUQYYVQWGTMR-GJFSDDNBSA-N
- InChI
- InChI=1S/C30H42N8O3.CH4O3S/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37;1-5(2,3)4/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34);1H3,(H,2,3,4)/t24-;/m1./s1
- IUPAC Name
- 6-ethyl-3-({4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]oxy}pyrazine-2-carboxamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CCC1=C(O[C@@H]2CCN(C2)C(=O)C=C)N=C(NC2=CC=C(C=C2)N2CCC(CC2)N2CCN(C)CC2)C(=N1)C(N)=O
- External Links
- ChemSpider
- 44210448
- ChEMBL
- CHEMBL3707350
- Predicted Properties
Property Value Source Water Solubility 0.0688 mg/mL ALOGPS logP 3.18 ALOGPS logP 3.31 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 13.69 Chemaxon pKa (Strongest Basic) 8.57 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 120.16 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 160.68 m3·mol-1 Chemaxon Polarizability 62.92 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon