C150H216N46O12 — CID 163646584
2-(azetidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-imidazol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-piperidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine (PubChem CID 163646584) has the molecular formula C150H216N46O12 and a molecular weight of 2855.69 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-imidazol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-piperidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine.
| Compound Name | 2-(azetidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-imidazol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-piperidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine |
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| PubChem CID | 163646584 |
| Molecular Formula | C150H216N46O12 |
| Molecular Weight | 2855.69 g/mol |
| Exact Mass | 2853.77 |
| IUPAC Name | 2-(azetidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-imidazol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-indol-1-yl-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-piperidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-2-pyrazol-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(1,2,4-triazol-1-yl)quinazolin-4-amine |
| SMILES | COc1cc2c(NCN3CCNCC3)nc(-n3ccc4ccccc43)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-n3cccn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-n3ccnc3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-n3cncn3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCCCC3)nc2cc1OCCCN1CCCC1 |
| InChI | InChI=1S/C29H37N7O2.C26H41N7O2.2C24H34N8O2.C24H37N7O2.C23H33N9O2/c1-37-26-19-23-24(20-27(26)38-18-6-14-34-12-4-5-13-34)32-29(36-15-9-22-7-2-3-8-25(22)36)33-28(23)31-21-35-16-10-30-11-17-35;1-34-23-18-21-22(19-24(23)35-17-7-12-31-10-5-6-11-31)29-26(33-13-3-2-4-14-33)30-25(21)28-20-32-15-8-27-9-16-32;1-33-21-15-19-20(16-22(21)34-14-4-10-30-8-2-3-9-30)28-24(32-13-7-26-17-32)29-23(19)27-18-31-11-5-25-6-12-31;1-33-21-16-19-20(17-22(21)34-15-5-11-30-9-2-3-10-30)28-24(32-12-4-6-27-32)29-23(19)26-18-31-13-7-25-8-14-31;1-32-21-16-19-20(17-22(21)33-15-5-10-29-8-2-3-9-29)27-24(31-11-4-12-31)28-23(19)26-18-30-13-6-25-7-14-30;1-33-20-13-18-19(14-21(20)34-12-4-9-30-7-2-3-8-30)28-23(32-16-25-15-27-32)29-22(18)26-17-31-10-5-24-6-11-31/h2-3,7-9,15,19-20,30H,4-6,10-14,16-18,21H2,1H3,(H,31,32,33);18-19,27H,2-17,20H2,1H3,(H,28,29,30);7,13,15-17,25H,2-6,8-12,14,18H2,1H3,(H,27,28,29);4,6,12,16-17,25H,2-3,5,7-11,13-15,18H2,1H3,(H,26,28,29);16-17,25H,2-15,18H2,1H3,(H,26,27,28);13-16,24H,2-12,17H2,1H3,(H,26,28,29) |
| InChIKey | IISSNLAIGMGOHH-UHFFFAOYSA-N |
| XLogP | 13.76 |
| TPSA | 526.44 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2855.69 |
| LogP ≤ 5 | 13.76 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 58 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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