C178H142Cl7F6N31O2 — CID 158902028
2-chloro-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(1H-indol-5-ylmethyl)-5-phenylquinazolin-4-amine;2-chloro-N-[(3-methylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(6-methyl-3-pyridinyl)-5-phenylquinazolin-4-amine;2-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]phenol;2-chloro-5-phenyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]quinazolin-4-amine;5-(4-fluorophenyl)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;methane (PubChem CID 158902028) has the molecular formula C178H142Cl7F6N31O2 and a molecular weight of 3109.47 g/mol. Its IUPAC name is 2-chloro-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(1H-indol-5-ylmethyl)-5-phenylquinazolin-4-amine;2-chloro-N-[(3-methylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(6-methyl-3-pyridinyl)-5-phenylquinazolin-4-amine;2-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]phenol;2-chloro-5-phenyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]quinazolin-4-amine;5-(4-fluorophenyl)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;methane.
| Compound Name | 2-chloro-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(1H-indol-5-ylmethyl)-5-phenylquinazolin-4-amine;2-chloro-N-[(3-methylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(6-methyl-3-pyridinyl)-5-phenylquinazolin-4-amine;2-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]phenol;2-chloro-5-phenyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]quinazolin-4-amine;5-(4-fluorophenyl)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;methane |
|---|---|
| PubChem CID | 158902028 |
| Molecular Formula | C178H142Cl7F6N31O2 |
| Molecular Weight | 3109.47 g/mol |
| Exact Mass | 3103.97 |
| IUPAC Name | 2-chloro-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(1H-indol-5-ylmethyl)-5-phenylquinazolin-4-amine;2-chloro-N-[(3-methylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(6-methyl-3-pyridinyl)-5-phenylquinazolin-4-amine;2-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]phenol;2-chloro-5-phenyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]quinazolin-4-amine;5-(4-fluorophenyl)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;methane |
| SMILES | C.C.CC(F)(F)Oc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1.CN(C)c1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1.Cc1ccc(Nc2nc(Cl)nc3cccc(-c4ccccc4)c23)cn1.Cc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1.Clc1nc(NCc2ccc3[nH]ccc3c2)c2c(-c3ccccc3)cccc2n1.FC(F)(F)c1ccnc(Nc2nc(Cl)nc3cccc(-c4ccccc4)c23)n1.Fc1ccc(-c2cccc3nc(-c4cccnc4)nc(NCc4ccccn4)c23)cc1.Oc1ccccc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12 |
| InChI | InChI=1S/C25H18FN5.C23H18ClF2N3O.C23H17ClN4.C23H21ClN4.C22H18ClN3.C21H16ClN3O.C20H15ClN4.C19H11ClF3N5.2CH4/c26-19-11-9-17(10-12-19)21-7-3-8-22-23(21)25(29-16-20-6-1-2-14-28-20)31-24(30-22)18-5-4-13-27-15-18;1-23(25,26)30-17-12-10-15(11-13-17)14-27-21-20-18(16-6-3-2-4-7-16)8-5-9-19(20)28-22(24)29-21;24-23-27-20-8-4-7-18(16-5-2-1-3-6-16)21(20)22(28-23)26-14-15-9-10-19-17(13-15)11-12-25-19;1-28(2)18-13-11-16(12-14-18)15-25-22-21-19(17-7-4-3-5-8-17)9-6-10-20(21)26-23(24)27-22;1-15-7-5-8-16(13-15)14-24-21-20-18(17-9-3-2-4-10-17)11-6-12-19(20)25-22(23)26-21;22-21-24-17-11-6-10-16(14-7-2-1-3-8-14)19(17)20(25-21)23-13-15-9-4-5-12-18(15)26;1-13-10-11-15(12-22-13)23-19-18-16(14-6-3-2-4-7-14)8-5-9-17(18)24-20(21)25-19;20-17-25-13-8-4-7-12(11-5-2-1-3-6-11)15(13)16(27-17)28-18-24-10-9-14(26-18)19(21,22)23;;/h1-15H,16H2,(H,29,30,31);2-13H,14H2,1H3,(H,27,28,29);1-13,25H,14H2,(H,26,27,28);3-14H,15H2,1-2H3,(H,25,26,27);2-13H,14H2,1H3,(H,24,25,26);1-12,26H,13H2,(H,23,24,25);2-12H,1H3,(H,23,24,25);1-10H,(H,24,25,26,27,28);2*1H4 |
| InChIKey | JFOJSKMXMZGIOT-UHFFFAOYSA-N |
| XLogP | 47.04 |
| TPSA | 415.42 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 224 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3109.47 |
| LogP ≤ 5 | 47.04 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|