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CAS No.: | 405169-16-6 |
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Name: | 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C21H21 F N6 O |
Molecular Weight: | 392.42900 |
Synonyms: | 2(1H)-Quinolinone,4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]- (9CI);4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one;Dovitinib |
Density: | 1.386 |
PSA: | 94.04000 |
LogP: | 3.12860 |
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Molecular structure of 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one (CAS NO.405169-16-6) is:
Product Name: 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
CAS Registry Number: 405169-16-6
IUPAC Name: (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one
Molecular Weight: 392.429443 [g/mol]
Molecular Formula: C21H21FN6O
XLogP3-AA: 1.6
H-Bond Donor: 3
H-Bond Acceptor: 7
Density: 1.386 g/cm3
Product Categories: API intermediates
Canonical SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3
Isomeric SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/C(=C5C(=NC4=O)C=CC=C5F)N)/N3
InChI: InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18+
InChIKey: KCOYQXZDFIIGCY-CZIZESTLSA-N
4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one , its cas register number is 405169-16-6. It also can be called 2(1H)-Quinolinone,4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]- .