C143H116Cl10F4N26O8S2 — CID 157364894
6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine (PubChem CID 157364894) has the molecular formula C143H116Cl10F4N26O8S2 and a molecular weight of 2821.33 g/mol. Its IUPAC name is 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine.
| Compound Name | 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine |
|---|---|
| PubChem CID | 157364894 |
| Molecular Formula | C143H116Cl10F4N26O8S2 |
| Molecular Weight | 2821.33 g/mol |
| Exact Mass | 2814.57 |
| IUPAC Name | 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine |
| SMILES | CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.O=C(NCCN1CCCCC1)NCC(=O)c1cncc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1 |
| InChI | InChI=1S/C29H30ClN7O2.C28H26ClN7O2.C23H17Cl2FN2O2S.C22H16Cl2FN3O2S.C21H14Cl2FN3.C20H13Cl2FN4/c30-23-5-4-6-24(15-23)36-28-25-14-20(7-8-26(25)34-19-35-28)21-13-22(17-31-16-21)27(38)18-33-29(39)32-9-12-37-10-2-1-3-11-37;29-22-2-1-3-23(16-22)33-26-6-7-31-25-5-4-19(15-24(25)26)20-14-21(18-30-17-20)27-34-35-28(38-27)32-8-9-36-10-12-37-13-11-36;1-31(29,30)13-16-10-14(2-5-19(16)24)15-3-7-22-18(11-15)23(8-9-27-22)28-17-4-6-21(26)20(25)12-17;1-31(29,30)12-15-8-14(11-27-22(15)24)13-2-5-20-17(9-13)21(6-7-26-20)28-16-3-4-19(25)18(23)10-16;22-16-4-1-13(10-19(16)25)12-2-6-20-15(9-12)21(7-8-26-20)27-14-3-5-18(24)17(23)11-14;21-15-9-13(2-3-16(15)23)27-19-5-6-25-18-4-1-11(7-14(18)19)12-8-17(24)20(22)26-10-12/h4-8,13-17,19H,1-3,9-12,18H2,(H2,32,33,39)(H,34,35,36);1-7,14-18H,8-13H2,(H,31,33)(H,32,35);2-12H,13H2,1H3,(H,27,28);2-11H,12H2,1H3,(H,26,28);1-11H,25H2,(H,26,27);1-10H,24H2,(H,25,27) |
| InChIKey | BJBIRGWCFFGZKG-UHFFFAOYSA-N |
| XLogP | 35.95 |
| TPSA | 459.15 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2821.33 |
| LogP ≤ 5 | 35.95 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'} |
|---|