C95H78N32O11 — CID 158497969
5-amino-N-(2-oxo-2-quinolin-8-ylethyl)pyrazolo[1,5-c]quinazoline-2-carboxamide;5-aminopyrazolo[1,5-c]quinazoline-2-carbohydrazide;5-aminopyrazolo[1,5-c]quinazoline-2-carboxylic acid;tert-butyl 2-[(5-aminopyrazolo[1,5-c]quinazoline-2-carbonyl)amino]acetate;ethyl 5-aminopyrazolo[1,5-c]quinazoline-2-carboxylate;2-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)pyrazolo[1,5-c]quinazolin-5-amine (PubChem CID 158497969) has the molecular formula C95H78N32O11 and a molecular weight of 1843.88 g/mol. Its IUPAC name is 5-amino-N-(2-oxo-2-quinolin-8-ylethyl)pyrazolo[1,5-c]quinazoline-2-carboxamide;5-aminopyrazolo[1,5-c]quinazoline-2-carbohydrazide;5-aminopyrazolo[1,5-c]quinazoline-2-carboxylic acid;tert-butyl 2-[(5-aminopyrazolo[1,5-c]quinazoline-2-carbonyl)amino]acetate;ethyl 5-aminopyrazolo[1,5-c]quinazoline-2-carboxylate;2-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)pyrazolo[1,5-c]quinazolin-5-amine.
| Compound Name | 5-amino-N-(2-oxo-2-quinolin-8-ylethyl)pyrazolo[1,5-c]quinazoline-2-carboxamide;5-aminopyrazolo[1,5-c]quinazoline-2-carbohydrazide;5-aminopyrazolo[1,5-c]quinazoline-2-carboxylic acid;tert-butyl 2-[(5-aminopyrazolo[1,5-c]quinazoline-2-carbonyl)amino]acetate;ethyl 5-aminopyrazolo[1,5-c]quinazoline-2-carboxylate;2-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)pyrazolo[1,5-c]quinazolin-5-amine |
|---|---|
| PubChem CID | 158497969 |
| Molecular Formula | C95H78N32O11 |
| Molecular Weight | 1843.88 g/mol |
| Exact Mass | 1842.65 |
| IUPAC Name | 5-amino-N-(2-oxo-2-quinolin-8-ylethyl)pyrazolo[1,5-c]quinazoline-2-carboxamide;5-aminopyrazolo[1,5-c]quinazoline-2-carbohydrazide;5-aminopyrazolo[1,5-c]quinazoline-2-carboxylic acid;tert-butyl 2-[(5-aminopyrazolo[1,5-c]quinazoline-2-carbonyl)amino]acetate;ethyl 5-aminopyrazolo[1,5-c]quinazoline-2-carboxylate;2-(5-quinolin-8-yl-1,3,4-oxadiazol-2-yl)pyrazolo[1,5-c]quinazolin-5-amine |
| SMILES | CC(C)(C)OC(=O)CNC(=O)c1cc2c3ccccc3nc(N)n2n1.CCOC(=O)c1cc2c3ccccc3nc(N)n2n1.NNC(=O)c1cc2c3ccccc3nc(N)n2n1.Nc1nc2ccccc2c2cc(-c3nnc(-c4cccc5cccnc45)o3)nn12.Nc1nc2ccccc2c2cc(C(=O)NCC(=O)c3cccc4cccnc34)nn12.Nc1nc2ccccc2c2cc(C(=O)O)nn12 |
| InChI | InChI=1S/C22H16N6O2.C21H13N7O.C17H19N5O3.C13H12N4O2.C11H10N6O.C11H8N4O2/c23-22-26-16-9-2-1-7-14(16)18-11-17(27-28(18)22)21(30)25-12-19(29)15-8-3-5-13-6-4-10-24-20(13)15;22-21-24-15-9-2-1-7-13(15)17-11-16(27-28(17)21)20-26-25-19(29-20)14-8-3-5-12-6-4-10-23-18(12)14;1-17(2,3)25-14(23)9-19-15(24)12-8-13-10-6-4-5-7-11(10)20-16(18)22(13)21-12;1-2-19-12(18)10-7-11-8-5-3-4-6-9(8)15-13(14)17(11)16-10;12-11-14-7-4-2-1-3-6(7)9-5-8(10(18)15-13)16-17(9)11;12-11-13-7-4-2-1-3-6(7)9-5-8(10(16)17)14-15(9)11/h1-11H,12H2,(H2,23,26)(H,25,30);1-11H,(H2,22,24);4-8H,9H2,1-3H3,(H2,18,20)(H,19,24);3-7H,2H2,1H3,(H2,14,15);1-5H,13H2,(H2,12,14)(H,15,18);1-5H,(H2,12,13)(H,16,17) |
| InChIKey | HJNKNZHYTXQCCV-UHFFFAOYSA-N |
| XLogP | 10.76 |
| TPSA | 622.25 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1843.88 |
| LogP ≤ 5 | 10.76 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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