| CAS Number | 124309-70-2 |
| Catalog Number | AG009YZY(AGN-PC-02Q8Q6) |
| Chemical Name | N-Benzyl-2-chloro-8-methoxyquinazolin-4-amine |
| IUPAC Name | N-benzyl-2-chloro-8-methoxyquinazolin-4-amine |
| InChI | InChI=1S/C16H14ClN3O/c1-21-13-9-5-8-12-14(13)19-16(17)20-15(12)18-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,19,20) |
| InChI Key | JHXDBDOUVDSSGK-UHFFFAOYSA-N |
| MDL Number | MFCD30721684 |
| Molecular Formula | C16H14ClN3O |
| Molecular Weight | 299.7549 |
| SMILES | COC1=CC=CC2=C(NCC3=CC=CC=C3)N=C(Cl)N=C12 |
| Synonyms | N-benzyl-2-chloro-8-methoxyquinazolin-4-amine,
124309-70-2,
SCHEMBL2585006,
CS-0062078,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.758g/mol |
| Monoisotopic Mass | 299.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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