C97H95ClN28O2 — CID 158498475
2-(4-chlorophenyl)-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide;7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;2-(1-methylpiperidin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 158498475) has the molecular formula C97H95ClN28O2 and a molecular weight of 1720.47 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide;7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;2-(1-methylpiperidin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine.
| Compound Name | 2-(4-chlorophenyl)-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide;7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;2-(1-methylpiperidin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine |
|---|---|
| PubChem CID | 158498475 |
| Molecular Formula | C97H95ClN28O2 |
| Molecular Weight | 1720.47 g/mol |
| Exact Mass | 1718.79 |
| IUPAC Name | 2-(4-chlorophenyl)-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide;7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;2-(1-methylpiperidin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine |
| SMILES | CNC(=O)c1ccc2c(Nc3cc(C)[nH]n3)nc(-c3cccc(C)c3)nc2c1.COc1ccc2c(Nc3cc(C)[nH]n3)nc(-c3ccc(Cl)cc3)nc2c1.Cc1cc(Nc2nc(-c3cccnc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(C3CCN(C)CC3)nc3cc(C(C)C)ccc23)n[nH]1.Cc1ccc2c(Nc3cc(C)[nH]n3)nc(-c3ccccc3)nc2c1 |
| InChI | InChI=1S/C21H20N6O.C21H28N6.C19H16ClN5O.C19H17N5.C17H14N6/c1-12-5-4-6-14(9-12)19-23-17-11-15(21(28)22-3)7-8-16(17)20(25-19)24-18-10-13(2)26-27-18;1-13(2)16-5-6-17-18(12-16)22-20(15-7-9-27(4)10-8-15)24-21(17)23-19-11-14(3)25-26-19;1-11-9-17(25-24-11)22-19-15-8-7-14(26-2)10-16(15)21-18(23-19)12-3-5-13(20)6-4-12;1-12-8-9-15-16(10-12)20-18(14-6-4-3-5-7-14)22-19(15)21-17-11-13(2)23-24-17;1-11-9-15(23-22-11)20-17-13-6-2-3-7-14(13)19-16(21-17)12-5-4-8-18-10-12/h4-11H,1-3H3,(H,22,28)(H2,23,24,25,26,27);5-6,11-13,15H,7-10H2,1-4H3,(H2,22,23,24,25,26);3-10H,1-2H3,(H2,21,22,23,24,25);3-11H,1-2H3,(H2,20,21,22,23,24);2-10H,1H3,(H2,19,20,21,22,23) |
| InChIKey | HJOXWFQZIUBGTR-UHFFFAOYSA-N |
| XLogP | 20.66 |
| TPSA | 386.91 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 128 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1720.47 |
| LogP ≤ 5 | 20.66 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 24 |