| CAS Number | 1215208-59-5 |
| Catalog Number | AG01EPN3(AGN-PC-3H470M) |
| Chemical Name | 6-quinolinyl(3,4,5-trimethoxyphenyl)methanone |
| IUPAC Name | quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone |
| InChI | InChI=1S/C19H17NO4/c1-22-16-10-14(11-17(23-2)19(16)24-3)18(21)13-6-7-15-12(9-13)5-4-8-20-15/h4-11H,1-3H3 |
| InChI Key | GSGXITQZCMSYKF-UHFFFAOYSA-N |
| MDL Number | MFCD28118986 |
| Molecular Formula | C19H17NO4 |
| Molecular Weight | 323.3426 |
| SMILES | N1=CC=CC2=CC(=CC=C12)C(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| Synonyms | 6-(3',4',5'-trimethoxybenzoyl)quinoline,
MPT0B014,
MPT0B014,
1215208-59-5,
CHEMBL590227,
SCHEMBL1336755,
AOB3517,
ZINC45335996,
AS-16754,
6-(3',4',5'-Trimethoxybenzoyl)quinoline,
6-quinolinyl(3,4,5-trimethoxyphenyl)methanone,
quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.115758g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.3g/mol |
| Monoisotopic Mass | 323.115758g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number