C123H109ClFN35O11 — CID 158798848
2-chloro-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine;2-N-cyclopropyl-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;2-N-(4-fluorophenyl)-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-pyridin-4-ylquinazoline-2,4-diamine;N-(1H-indazol-5-yl)-2-phenylquinazolin-4-amine (PubChem CID 158798848) has the molecular formula C123H109ClFN35O11 and a molecular weight of 2307.91 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine;2-N-cyclopropyl-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;2-N-(4-fluorophenyl)-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-pyridin-4-ylquinazoline-2,4-diamine;N-(1H-indazol-5-yl)-2-phenylquinazolin-4-amine.
| Compound Name | 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine;2-N-cyclopropyl-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;2-N-(4-fluorophenyl)-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-pyridin-4-ylquinazoline-2,4-diamine;N-(1H-indazol-5-yl)-2-phenylquinazolin-4-amine |
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| PubChem CID | 158798848 |
| Molecular Formula | C123H109ClFN35O11 |
| Molecular Weight | 2307.91 g/mol |
| Exact Mass | 2305.87 |
| IUPAC Name | 2-chloro-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine;2-N-cyclopropyl-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;2-N-(4-fluorophenyl)-4-N-(1H-indazol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(2-methoxyethyl)quinazoline-2,4-diamine;4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-pyridin-4-ylquinazoline-2,4-diamine;N-(1H-indazol-5-yl)-2-phenylquinazolin-4-amine |
| SMILES | COCCNc1nc(Nc2ccc3[nH]ncc3c2)c2cc(OC)c(OC)cc2n1.COc1cc2nc(Cl)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.COc1cc2nc(NC3CC3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.COc1cc2nc(Nc3ccc(F)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.COc1cc2nc(Nc3ccncc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC.c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)cc1 |
| InChI | InChI=1S/C23H19FN6O2.C22H19N7O2.C21H15N5.C20H22N6O3.C20H20N6O2.C17H14ClN5O2/c1-31-20-10-17-19(11-21(20)32-2)28-23(27-15-5-3-14(24)4-6-15)29-22(17)26-16-7-8-18-13(9-16)12-25-30-18;1-30-19-10-16-18(11-20(19)31-2)27-22(26-14-5-7-23-8-6-14)28-21(16)25-15-3-4-17-13(9-15)12-24-29-17;1-2-6-14(7-3-1)20-24-19-9-5-4-8-17(19)21(25-20)23-16-10-11-18-15(12-16)13-22-26-18;1-27-7-6-21-20-24-16-10-18(29-3)17(28-2)9-14(16)19(25-20)23-13-4-5-15-12(8-13)11-22-26-15;1-27-17-8-14-16(9-18(17)28-2)24-20(23-12-3-4-12)25-19(14)22-13-5-6-15-11(7-13)10-21-26-15;1-24-14-6-11-13(7-15(14)25-2)21-17(18)22-16(11)20-10-3-4-12-9(5-10)8-19-23-12/h3-12H,1-2H3,(H,25,30)(H2,26,27,28,29);3-12H,1-2H3,(H,24,29)(H2,23,25,26,27,28);1-13H,(H,22,26)(H,23,24,25);4-5,8-11H,6-7H2,1-3H3,(H,22,26)(H2,21,23,24,25);5-10,12H,3-4H2,1-2H3,(H,21,26)(H2,22,23,24,25);3-8H,1-2H3,(H,19,23)(H,20,21,22) |
| InChIKey | ITFIFQSWRSGOMY-UHFFFAOYSA-N |
| XLogP | 25.56 |
| TPSA | 561.48 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2307.91 |
| LogP ≤ 5 | 25.56 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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