About tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol
tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol (PubChem CID 157483384) has the molecular formula C56H65ClN8O10
and a molecular weight of 1045.63 g/mol. Its IUPAC name is tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol.
Molecular Properties
| Compound Name | tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol |
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| PubChem CID | 157483384 |
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| Molecular Formula | C56H65ClN8O10 |
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| Molecular Weight | 1045.63 g/mol |
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| Exact Mass | 1044.45 |
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| IUPAC Name | tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol |
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| SMILES | COc1cc2c(Cl)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc2ccc(O)cc2[nH]1 |
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| InChI | InChI=1S/C28H32N4O5.C19H24ClN3O4.C9H9NO/c1-17-12-18-6-7-20(13-22(18)31-17)36-26-21-14-24(34-5)25(15-23(21)29-16-30-26)35-19-8-10-32(11-9-19)27(33)37-28(2,3)4;1-19(2,3)27-18(24)23-7-5-12(6-8-23)26-16-10-14-13(9-15(16)25-4)17(20)22-11-21-14;1-6-4-7-2-3-8(11)5-9(7)10-6/h6-7,12-16,19,31H,8-11H2,1-5H3;9-12H,5-8H2,1-4H3;2-5,10-11H,1H3 |
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| InChIKey | BWKNIGGDFACBDI-UHFFFAOYSA-N |
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| XLogP | 12.25 |
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| TPSA | 208.60 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 75 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1045.63 |
| LogP ≤ 5 | 12.25 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 14 |
Analyze tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol with MolForge
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Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol?
The IUPAC name of tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol (CID 157483384) is tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol.
What is the SMILES notation for tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol?
The canonical SMILES for tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol is COc1cc2c(Cl)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1cc2ccc(O)cc2[nH]1.
What is the InChIKey of tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol?
The InChIKey is BWKNIGGDFACBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5.C19H24ClN3O4.C9H9NO/c1-17-12-18-6-7-20(13-22(18)31-17)36-26-21-14-24(34-5)25(15-23(21)29-16-30-26)35-19-8-10-32(11-9-19)27(33)37-28(2,3)4;1-19(2,3)27-18(24)23-7-5-12(6-8-23)26-16-10-14-13(9-15(16)25-4)17(20)22-11-21-14;1-6-4-7-2-3-8(11)5-9(7)10-6/h6-7,12-16,19,31H,8-11H2,1-5H3;9-12H,5-8H2,1-4H3;2-5,10-11H,1H3.
What are the key properties of tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol?
tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol has a molecular weight of 1045.63 g/mol, XLogP of 12.25, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chloro-6-methoxyquinazolin-7-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-methoxy-4-[(2-methyl-1H-indol-6-yl)oxy]quinazolin-7-yl]oxypiperidine-1-carboxylate;2-methyl-1H-indol-6-ol is sourced from PubChem (CID 157483384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).