sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol

C123H169BrN17NaO13SSi — CID 161160726

About sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol

sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol (PubChem CID 161160726) has the molecular formula C123H169BrN17NaO13SSi and a molecular weight of 2256.86 g/mol. Its IUPAC name is sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol.

Molecular Properties

• Compound Name: sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol
• PubChem CID: 161160726
• Molecular Formula: C123H169BrN17NaO13SSi
• Molecular Weight: 2256.86 g/mol
• Exact Mass: 2254.17
• IUPAC Name: sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCNC1.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](C)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](OC)C4)cc23)CC1.CS(C)(=O)(O)OO.O[C@H]1CCNC1.[H-].[Na+]
• InChI: InChI=1S/C28H34N4O2.C28H34N4O.C27H32N4O2.C23H24BrN3O.C10H23NOSi.C4H9NO.C2H8O4S.CH4O.Na.H/c1-33-22-13-16-32(18-22)21-9-10-25-24(17-21)28(30-27(29-25)20-7-8-20)31-14-11-19(12-15-31)23-5-3-4-6-26(23)34-2;1-19-11-14-32(18-19)22-9-10-25-24(17-22)28(30-27(29-25)21-7-8-21)31-15-12-20(13-16-31)23-5-3-4-6-26(23)33-2;1-33-25-5-3-2-4-22(25)18-10-13-30(14-11-18)27-23-16-20(31-15-12-21(32)17-31)8-9-24(23)28-26(29-27)19-6-7-19;1-28-21-5-3-2-4-18(21)15-10-12-27(13-11-15)23-19-14-17(24)8-9-20(19)25-22(26-23)16-6-7-16;1-10(2,3)13(4,5)12-9-6-7-11-8-9;6-4-1-2-5-3-4;1-7(2,4,5)6-3;1-2;;/h3-6,9-10,17,19-20,22H,7-8,11-16,18H2,1-2H3;3-6,9-10,17,19-21H,7-8,11-16,18H2,1-2H3;2-5,8-9,16,18-19,21,32H,6-7,10-15,17H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;9,11H,6-8H2,1-5H3;4-6H,1-3H2;3H,1-2H3,(H,4,5);2H,1H3;;/q;;;;;;;;+1;-1/t22-;19-;21-;;9-;4-;;;;/m000.00..../s1
• InChIKey: QUQIDTKKQWOXMT-NLHWDDFOSA-N
• XLogP: 19.38
• TPSA: 332.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.86
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol?

The IUPAC name of sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol (CID 161160726) is sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol.

What is the SMILES notation for sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol?

The canonical SMILES for sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol is CC(C)(C)[Si](C)(C)O[C@H]1CCNC1.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](C)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](OC)C4)cc23)CC1.CS(C)(=O)(O)OO.O[C@H]1CCNC1.[H-].[Na+].

What is the InChIKey of sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol?

The InChIKey is QUQIDTKKQWOXMT-NLHWDDFOSA-N. The full InChI is InChI=1S/C28H34N4O2.C28H34N4O.C27H32N4O2.C23H24BrN3O.C10H23NOSi.C4H9NO.C2H8O4S.CH4O.Na.H/c1-33-22-13-16-32(18-22)21-9-10-25-24(17-21)28(30-27(29-25)20-7-8-20)31-14-11-19(12-15-31)23-5-3-4-6-26(23)34-2;1-19-11-14-32(18-19)22-9-10-25-24(17-22)28(30-27(29-25)21-7-8-21)31-15-12-20(13-16-31)23-5-3-4-6-26(23)33-2;1-33-25-5-3-2-4-22(25)18-10-13-30(14-11-18)27-23-16-20(31-15-12-21(32)17-31)8-9-24(23)28-26(29-27)19-6-7-19;1-28-21-5-3-2-4-18(21)15-10-12-27(13-11-15)23-19-14-17(24)8-9-20(19)25-22(26-23)16-6-7-16;1-10(2,3)13(4,5)12-9-6-7-11-8-9;6-4-1-2-5-3-4;1-7(2,4,5)6-3;1-2;;/h3-6,9-10,17,19-20,22H,7-8,11-16,18H2,1-2H3;3-6,9-10,17,19-21H,7-8,11-16,18H2,1-2H3;2-5,8-9,16,18-19,21,32H,6-7,10-15,17H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;9,11H,6-8H2,1-5H3;4-6H,1-3H2;3H,1-2H3,(H,4,5);2H,1H3;;/q;;;;;;;;+1;-1/t22-;19-;21-;;9-;4-;;;;/m000.00..../s1.

What are the key properties of sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol?

sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol has a molecular weight of 2256.86 g/mol, XLogP of 19.38, 23 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;tert-butyl-dimethyl-[(3S)-pyrrolidin-3-yl]oxysilane;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methoxypyrrolidin-1-yl]quinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[(3S)-3-methylpyrrolidin-1-yl]quinazoline;(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol;hydride;hydroperoxy-hydroxy-dimethyl-oxo-λ6-sulfane;methanol;(3S)-pyrrolidin-3-ol is sourced from PubChem (CID 161160726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).