| CAS Number | 1821280-29-8 |
| Catalog Number | AG01EOPH(AGN-PC-3H4IA6) |
| Chemical Name | SBI-0640756 |
| IUPAC Name | 6-chloro-3-[(E)-3-(5-fluoropyridin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one |
| InChI | InChI=1S/C23H14ClFN2O2/c24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+ |
| InChI Key | VVWGPQZBDQVQRC-RMKNXTFCSA-N |
| MDL Number | MFCD30343858 |
| Molecular Formula | C23H14ClFN2O2 |
| Molecular Weight | 404.8209 |
| SMILES | Fc1cncc(c1)/C=C/C(=O)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl |
| Synonyms | SBI-0640756,
SBI-756,
SBI-0640756,
1821280-29-8,
6-Chloro-3-(3-(5-fluoropyridin-3-yl)acryloyl)-4-phenylquinolin-2(1H)-one,
SCHEMBL19857722,
SCHEMBL19857734,
1997370-71-4,
BCP23633,
EX-A2800,
s8181,
ZINC521836536,
CS-5696,
HY-19560,
SBI-0640756, >=98% (HPLC),
SBI 0640756;SBI0640756;SBI 756;SBI756;SBI-756,
N/A,
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| Complexity | 701 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 404.072784g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.8g/mol |
| Monoisotopic Mass | 404.072784g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number