C195H211B2Br6Cl23N41O30P — CID 161158042
1-[4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-bromo-7-chloro-1H-quinazoline-2,4-dione;6-bromo-2,4,7-trichloroquinazoline;tert-butyl 4-(2-amino-6-bromo-7-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(6-bromo-7-chloro-2-methoxyquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-bromo-2,7-dichloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;bis((4-chlorophenyl)boronic acid);methanamine;methyl 2-amino-5-bromo-4-chlorobenzoate;phosphoryl trichloride;prop-2-enoic acid;prop-2-enoyl chloride;urea (PubChem CID 161158042) has the molecular formula C195H211B2Br6Cl23N41O30P and a molecular weight of 4956.53 g/mol. Its IUPAC name is 1-[4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-bromo-7-chloro-1H-quinazoline-2,4-dione;6-bromo-2,4,7-trichloroquinazoline;tert-butyl 4-(2-amino-6-bromo-7-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(6-bromo-7-chloro-2-methoxyquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-bromo-2,7-dichloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;bis((4-chlorophenyl)boronic acid);methanamine;methyl 2-amino-5-bromo-4-chlorobenzoate;phosphoryl trichloride;prop-2-enoic acid;prop-2-enoyl chloride;urea.
| Compound Name | 1-[4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-bromo-7-chloro-1H-quinazoline-2,4-dione;6-bromo-2,4,7-trichloroquinazoline;tert-butyl 4-(2-amino-6-bromo-7-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(6-bromo-7-chloro-2-methoxyquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-bromo-2,7-dichloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;bis((4-chlorophenyl)boronic acid);methanamine;methyl 2-amino-5-bromo-4-chlorobenzoate;phosphoryl trichloride;prop-2-enoic acid;prop-2-enoyl chloride;urea |
|---|---|
| PubChem CID | 161158042 |
| Molecular Formula | C195H211B2Br6Cl23N41O30P |
| Molecular Weight | 4956.53 g/mol |
| Exact Mass | 4937.41 |
| IUPAC Name | 1-[4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-bromo-7-chloro-1H-quinazoline-2,4-dione;6-bromo-2,4,7-trichloroquinazoline;tert-butyl 4-(2-amino-6-bromo-7-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[2-amino-7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(6-bromo-7-chloro-2-methoxyquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(6-bromo-2,7-dichloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[7-chloro-6-(4-chlorophenyl)-2-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;bis((4-chlorophenyl)boronic acid);methanamine;methyl 2-amino-5-bromo-4-chlorobenzoate;phosphoryl trichloride;prop-2-enoic acid;prop-2-enoyl chloride;urea |
| SMILES | C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(N)nc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC)nc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.C=CC(=O)O.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3cc(Cl)c(Br)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc(N)nc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc(N)nc3cc(Cl)c(Br)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CN.COC(=O)c1cc(Br)c(Cl)cc1N.COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1.COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Br)c(Cl)cc2n1.Clc1nc(Cl)c2cc(Br)c(Cl)cc2n1.NC(N)=O.O=P(Cl)(Cl)Cl.O=c1[nH]c(=O)c2cc(Br)c(Cl)cc2[nH]1.OB(O)c1ccc(Cl)cc1.OB(O)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C24H26Cl2N4O3.C23H25Cl2N5O2.C22H20Cl2N4O2.C21H19Cl2N5O.C18H22BrClN4O3.C17H19BrCl2N4O2.C17H21BrClN5O2.C9H18N2O2.C8H2BrCl3N2.C8H4BrClN2O2.C8H7BrClNO2.2C6H6BClO2.C3H3ClO.C3H4O2.CH4N2O.CH5N.Cl3OP/c1-24(2,3)33-23(31)30-11-9-29(10-12-30)21-18-13-17(15-5-7-16(25)8-6-15)19(26)14-20(18)27-22(28-21)32-4;1-23(2,3)32-22(31)30-10-8-29(9-11-30)20-17-12-16(14-4-6-15(24)7-5-14)18(25)13-19(17)27-21(26)28-20;1-3-20(29)27-8-10-28(11-9-27)21-17-12-16(14-4-6-15(23)7-5-14)18(24)13-19(17)25-22(26-21)30-2;1-2-19(29)27-7-9-28(10-8-27)20-16-11-15(13-3-5-14(22)6-4-13)17(23)12-18(16)25-21(24)26-20;1-18(2,3)27-17(25)24-7-5-23(6-8-24)15-11-9-12(19)13(20)10-14(11)21-16(22-15)26-4;2*1-17(2,3)26-16(25)24-6-4-23(5-7-24)14-10-8-11(18)12(19)9-13(10)21-15(20)22-14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-4-1-3-6(2-5(4)10)13-8(12)14-7(3)11;9-4-1-3-6(2-5(4)10)11-8(14)12-7(3)13;1-13-8(12)4-2-5(9)6(10)3-7(4)11;2*8-6-3-1-5(2-4-6)7(9)10;2*1-2-3(4)5;2-1(3)4;1-2;1-5(2,3)4/h5-8,13-14H,9-12H2,1-4H3;4-7,12-13H,8-11H2,1-3H3,(H2,26,27,28);3-7,12-13H,1,8-11H2,2H3;2-6,11-12H,1,7-10H2,(H2,24,25,26);9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3,(H2,20,21,22);10H,4-7H2,1-3H3;1-2H;1-2H,(H2,11,12,13,14);2-3H,11H2,1H3;2*1-4,9-10H;2H,1H2;2H,1H2,(H,4,5);(H4,2,3,4);2H2,1H3; |
| InChIKey | UPOARUISTLPAAC-UHFFFAOYSA-N |
| XLogP | 43.86 |
| TPSA | 930.09 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 298 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4956.53 |
| LogP ≤ 5 | 43.86 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 58 |