C103H130BrClN28O9 — CID 159936999
6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;2-[2-(dimethylamino)ethyl]-3-methyl-7-(methylamino)quinazolin-4-one;3-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one (PubChem CID 159936999) has the molecular formula C103H130BrClN28O9 and a molecular weight of 2019.72 g/mol. Its IUPAC name is 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;2-[2-(dimethylamino)ethyl]-3-methyl-7-(methylamino)quinazolin-4-one;3-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one.
| Compound Name | 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;2-[2-(dimethylamino)ethyl]-3-methyl-7-(methylamino)quinazolin-4-one;3-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one |
|---|---|
| PubChem CID | 159936999 |
| Molecular Formula | C103H130BrClN28O9 |
| Molecular Weight | 2019.72 g/mol |
| Exact Mass | 2016.94 |
| IUPAC Name | 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;2-[2-(dimethylamino)ethyl]-3-methyl-7-(methylamino)quinazolin-4-one;3-methyl-7-(2-morpholin-4-ylethylamino)quinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one |
| SMILES | CCCNc1ccc2c(=O)n(C)cnc2c1.CN(C)CCNc1ccc2c(=O)n(C)cnc2c1.CNc1cc2ncn(C)c(=O)c2cc1Br.CNc1cc2ncn(C)c(=O)c2cc1Cl.CNc1ccc2c(=O)n(C)c(CCN(C)C)nc2c1.Cn1cnc2cc(NCC3CC3)ccc2c1=O.Cn1cnc2cc(NCCN3CCCCC3)ccc2c1=O.Cn1cnc2cc(NCCN3CCOCC3)ccc2c1=O |
| InChI | InChI=1S/C16H22N4O.C15H20N4O2.C14H20N4O.C13H18N4O.C13H15N3O.C12H15N3O.C10H10BrN3O.C10H10ClN3O/c1-19-12-18-15-11-13(5-6-14(15)16(19)21)17-7-10-20-8-3-2-4-9-20;1-18-11-17-14-10-12(2-3-13(14)15(18)20)16-4-5-19-6-8-21-9-7-19;1-15-10-5-6-11-12(9-10)16-13(7-8-17(2)3)18(4)14(11)19;1-16(2)7-6-14-10-4-5-11-12(8-10)15-9-17(3)13(11)18;1-16-8-15-12-6-10(14-7-9-2-3-9)4-5-11(12)13(16)17;1-3-6-13-9-4-5-10-11(7-9)14-8-15(2)12(10)16;2*1-12-9-4-8-6(3-7(9)11)10(15)14(2)5-13-8/h5-6,11-12,17H,2-4,7-10H2,1H3;2-3,10-11,16H,4-9H2,1H3;5-6,9,15H,7-8H2,1-4H3;4-5,8-9,14H,6-7H2,1-3H3;4-6,8-9,14H,2-3,7H2,1H3;4-5,7-8,13H,3,6H2,1-2H3;2*3-5,12H,1-2H3 |
| InChIKey | OAJOHAJRCFKWPF-UHFFFAOYSA-N |
| XLogP | 11.37 |
| TPSA | 397.55 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2019.72 |
| LogP ≤ 5 | 11.37 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 37 |