| CAS Number | 130017-40-2 |
| Catalog Number | AG01ENWA(AGN-PC-3H463O) |
| Chemical Name | K-756 |
| IUPAC Name | 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one |
| InChI | InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30) |
| InChI Key | GWXCGEJJQFHPPA-UHFFFAOYSA-N |
| MDL Number | MFCD30537546 |
| Molecular Formula | C24H27N5O3 |
| Molecular Weight | 433.5029 |
| SMILES | COC=1C=C2C(=NC=NC2=CC1OC)N1CCC(CC1)CN1C(NC2=CC=CC=C2C1)=O |
| Synonyms | K-756,
3-[[1-(6,7-Dimethoxyquinazolin-4-Yl)piperidin-4-Yl]methyl]-1,4-Dihydroquinazolin-2-One,
SCHEMBL16447579,
GWXCGEJJQFHPPA-UHFFFAOYSA-N,
HY-U00422,
130017-40-2,
CS-0035125,
K-756, >=98% (HPLC),
3-[1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinylmethyl]-3,4-dihydroquinazolin-2(1H)-one,
3-{[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl}-3,4-dihydroquinazolin-2(1H)-one,
|
| Complexity | 643 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 433.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 433.512g/mol |
| Monoisotopic Mass | 433.211g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number