C74H78N20O — CID 159676976
2-butyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(propylaminomethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-propyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 159676976) has the molecular formula C74H78N20O and a molecular weight of 1263.58 g/mol. Its IUPAC name is 2-butyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(propylaminomethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-propyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.
| Compound Name | 2-butyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(propylaminomethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-propyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine |
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| PubChem CID | 159676976 |
| Molecular Formula | C74H78N20O |
| Molecular Weight | 1263.58 g/mol |
| Exact Mass | 1262.67 |
| IUPAC Name | 2-butyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(morpholin-4-ylmethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-(propylaminomethyl)-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine;2-propyl-7-(2H-pyrrol-3-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine |
| SMILES | CCCCc1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2[nH]1.CCCNCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1.CCCc1cc2c(N)nc3cc(C4=CC=NC4)ccc3c2[nH]1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CN3CCOCC3)cc12 |
| InChI | InChI=1S/C19H20N6O.C19H20N4.C18H20N6.C18H18N4/c20-19-15-10-13(11-25-5-7-26-8-6-25)22-18(15)14-2-1-12(9-17(14)23-19)16-3-4-21-24-16;1-2-3-4-14-10-16-18(22-14)15-6-5-12(13-7-8-21-11-13)9-17(15)23-19(16)20;1-2-6-20-10-12-9-14-17(22-12)13-4-3-11(15-5-7-21-24-15)8-16(13)23-18(14)19;1-2-3-13-9-15-17(21-13)14-5-4-11(12-6-7-20-10-12)8-16(14)22-18(15)19/h1-4,9-10,22H,5-8,11H2,(H2,20,23)(H,21,24);5-10,22H,2-4,11H2,1H3,(H2,20,23);3-5,7-9,20,22H,2,6,10H2,1H3,(H2,19,23)(H,21,24);4-9,21H,2-3,10H2,1H3,(H2,19,22) |
| InChIKey | MUSJVIGSTJJYPG-UHFFFAOYSA-N |
| XLogP | 13.54 |
| TPSA | 325.38 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 95 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1263.58 |
| LogP ≤ 5 | 13.54 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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