| CAS Number | 1255517-77-1 |
| Catalog Number | AG009CTK |
| Chemical Name | 4-Quinazolinamine, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-, hydrate (1:1) |
| IUPAC Name | 2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;hydrate |
| InChI | InChI=1S/C30H47N5O2.H2O/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23;/h20-24H,4-19H2,1-3H3,(H,31,32,33);1H2 |
| InChI Key | LLJGACAJGYXBTL-UHFFFAOYSA-N |
| MDL Number | MFCD17215972 |
| Molecular Formula | C30H49N5O3 |
| Molecular Weight | 527.7418 |
| SMILES | COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1.O |
| Synonyms | 1255517-77-1,
UNC 0638 hydrate,
UNC06381,
UNC0638 hydrate,
UNC0638 hydrate, >=98% (HPLC),
A13690,
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy) quinazolin-4-amine,
UNC 0638,
|
| Complexity | 660 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 527.384g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 527.754g/mol |
| Monoisotopic Mass | 527.384g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number