| CAS Number | 786706-21-6 |
| Catalog Number | AG01ENLG(AGN-PC-0UDOQD) |
| Chemical Name | 4-Butoxy-N-[1,4-dihydro-2-(4-methoxyphenyl)-4-oxo-3(2H)-quinazolinyl]benzamide |
| IUPAC Name | 4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide |
| InChI | InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30) |
| InChI Key | XORVAHQXRDLSFT-UHFFFAOYSA-N |
| MDL Number | MFCD29913411 |
| Molecular Formula | C26H27N3O4 |
| Molecular Weight | 445.5103 |
| SMILES | N(N1C(=O)C2=CC=CC=C2NC1C1C=CC(OC)=CC=1)C(C1C=CC(OCCCC)=CC=1)=O |
| Synonyms | 4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide,
Quin-C1,
4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide,
786706-21-6,
quin-C1,
4-Butoxy-N-[1,4-dihydro-2-(4-methoxyphenyl)-4-oxo-3(2H)-quinazolinyl]benzamide,
Quin C1,
GTPL6265,
SCHEMBL19384377,
AKOS027470217,
4-butoxy-N-(2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3(4H)-yl)benzamide,
4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,4-dihydro-2h-quinazolin-3-yl]benzamide,
D0C3HQ,
CID11751175,
4-butoxy-N-(2-(4-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl)benzamide,
|
| Complexity | 643 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.519g/mol |
| Monoisotopic Mass | 445.2g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 79.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number