C194H192Cl8N36O — CID 157078373
N-[5-(4-benzylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;bis(7-chloro-N-[5-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);7-chloro-N-[3-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 157078373) has the molecular formula C194H192Cl8N36O and a molecular weight of 3327.54 g/mol. Its IUPAC name is N-[5-(4-benzylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;bis(7-chloro-N-[5-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);7-chloro-N-[3-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-phenylpyrimidine-2,4-diamine.
| Compound Name | N-[5-(4-benzylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;bis(7-chloro-N-[5-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);7-chloro-N-[3-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-phenylpyrimidine-2,4-diamine |
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| PubChem CID | 157078373 |
| Molecular Formula | C194H192Cl8N36O |
| Molecular Weight | 3327.54 g/mol |
| Exact Mass | 3321.36 |
| IUPAC Name | N-[5-(4-benzylpyrimidin-2-yl)pentyl]-7-chloroquinolin-4-amine;N-[3-(4-benzylpyrimidin-2-yl)propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-[(3-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;bis(7-chloro-N-[5-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]pentyl]quinolin-4-amine);7-chloro-N-[3-[4-[(4-methylphenyl)methyl]pyrimidin-2-yl]propyl]quinolin-4-amine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-phenylpyrimidine-2,4-diamine |
| SMILES | COc1cc(C)cc(Cc2ccnc(CCCNc3ccnc4cc(Cl)ccc34)n2)c1.Cc1ccc(Cc2ccnc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2ccnc(CCCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Cc2ccnc(CCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Cc1ccc(Nc2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1.Clc1ccc2c(NCCCCCc3nccc(Cc4ccccc4)n3)ccnc2c1.Clc1ccc2c(NCCCNc3nccc(Nc4ccccc4)n3)ccnc2c1.Clc1ccc2c(NCCCc3nccc(Cc4ccccc4)n3)ccnc2c1 |
| InChI | InChI=1S/2C26H27ClN4.C25H25ClN4O.C25H25ClN4.C24H23ClN4.C23H23ClN6.C23H21ClN4.C22H21ClN6/c2*1-19-6-8-20(9-7-19)17-22-12-15-30-26(31-22)5-3-2-4-14-28-24-13-16-29-25-18-21(27)10-11-23(24)25;1-17-12-18(15-21(13-17)31-2)14-20-7-10-29-25(30-20)4-3-9-27-23-8-11-28-24-16-19(26)5-6-22(23)24;26-20-10-11-22-23(13-16-28-24(22)18-20)27-14-6-2-5-9-25-29-15-12-21(30-25)17-19-7-3-1-4-8-19;1-17-4-6-18(7-5-17)15-20-10-13-28-24(29-20)3-2-12-26-22-11-14-27-23-16-19(25)8-9-21(22)23;1-16-3-6-18(7-4-16)29-22-10-14-28-23(30-22)27-12-2-11-25-20-9-13-26-21-15-17(24)5-8-19(20)21;24-18-8-9-20-21(11-14-26-22(20)16-18)25-12-4-7-23-27-13-10-19(28-23)15-17-5-2-1-3-6-17;23-16-7-8-18-19(9-13-25-20(18)15-16)24-11-4-12-26-22-27-14-10-21(29-22)28-17-5-2-1-3-6-17/h2*6-13,15-16,18H,2-5,14,17H2,1H3,(H,28,29);5-8,10-13,15-16H,3-4,9,14H2,1-2H3,(H,27,28);1,3-4,7-8,10-13,15-16,18H,2,5-6,9,14,17H2,(H,27,28);4-11,13-14,16H,2-3,12,15H2,1H3,(H,26,27);3-10,13-15H,2,11-12H2,1H3,(H,25,26)(H2,27,28,29,30);1-3,5-6,8-11,13-14,16H,4,7,12,15H2,(H,25,26);1-3,5-10,13-15H,4,11-12H2,(H,24,25)(H2,26,27,28,29) |
| InChIKey | ADFXVARQFWHCMT-UHFFFAOYSA-N |
| XLogP | 46.45 |
| TPSA | 462.95 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3327.54 |
| LogP ≤ 5 | 46.45 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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