About 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol
2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol (PubChem CID 130356477) has the molecular formula C58H75N9O3
and a molecular weight of 946.30 g/mol. Its IUPAC name is 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol.
Molecular Properties
| Compound Name | 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol |
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| PubChem CID | 130356477 |
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| Molecular Formula | C58H75N9O3 |
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| Molecular Weight | 946.30 g/mol |
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| Exact Mass | 945.60 |
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| IUPAC Name | 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol |
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| SMILES | CCCN(C)c1ccc2nc(C3(N(C)CCC)CC3c3ccc(C4CCN(c5nc(C6(C)CC6)nc6ccc(N(C)CCO)cc56)CC4)c(OC)c3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 |
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| InChI | InChI=1S/C58H75N9O3/c1-9-27-63(4)42-16-20-50-47(36-42)54(67-29-21-39(22-30-67)44-13-11-12-14-51(44)69-7)62-56(60-50)58(65(6)28-10-2)38-48(58)41-15-18-45(52(35-41)70-8)40-23-31-66(32-24-40)53-46-37-43(64(5)33-34-68)17-19-49(46)59-55(61-53)57(3)25-26-57/h11-20,35-37,39-40,48,68H,9-10,21-34,38H2,1-8H3 |
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| InChIKey | BIWBMFBLIQDTMG-UHFFFAOYSA-N |
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| XLogP | 10.41 |
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| TPSA | 106.45 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 946.30 |
| LogP ≤ 5 | 10.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 12 |
Analyze 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol (CID 130356477) is 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol is CCCN(C)c1ccc2nc(C3(N(C)CCC)CC3c3ccc(C4CCN(c5nc(C6(C)CC6)nc6ccc(N(C)CCO)cc56)CC4)c(OC)c3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is BIWBMFBLIQDTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H75N9O3/c1-9-27-63(4)42-16-20-50-47(36-42)54(67-29-21-39(22-30-67)44-13-11-12-14-51(44)69-7)62-56(60-50)58(65(6)28-10-2)38-48(58)41-15-18-45(52(35-41)70-8)40-23-31-66(32-24-40)53-46-37-43(64(5)33-34-68)17-19-49(46)59-55(61-53)57(3)25-26-57/h11-20,35-37,39-40,48,68H,9-10,21-34,38H2,1-8H3.
What are the key properties of 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 946.30 g/mol, XLogP of 10.41, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[2-methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 130356477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).