| CAS Number | 936446-61-6 |
| Catalog Number | AG01EO8C(AGN-PC-0WOKMD) |
| Chemical Name | NRC-2694 |
| IUPAC Name | N-(3-ethynylphenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine |
| InChI | InChI=1S/C24H26N4O3/c1-3-18-6-4-7-19(14-18)27-24-20-15-23(22(29-2)16-21(20)25-17-26-24)31-11-5-8-28-9-12-30-13-10-28/h1,4,6-7,14-17H,5,8-13H2,2H3,(H,25,26,27) |
| InChI Key | WBKHQQZRHCECKK-UHFFFAOYSA-N |
| MDL Number | MFCD30532745 |
| Molecular Formula | C24H26N4O3 |
| Molecular Weight | 418.4882 |
| SMILES | C(#C)C=1C=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)OCCCN1CCOCC1)OC |
| UNII | O898S9836V |
| Synonyms | NRC-2694,
UNII-O898S9836V,
O898S9836V,
936446-61-6,
N-(3-Ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine,
N-(3-ethynylphenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine,
WBKHQQZRHCECKK-UHFFFAOYSA-N,
SCHEMBL828788,
ZINC35334515,
CS-6754,
4-Quinazolinamine, N-(3-ethynylphenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-,
HY-19909,
|
| Complexity | 591 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.497g/mol |
| Monoisotopic Mass | 418.2g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number