About molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate (PubChem CID 160741748) has the molecular formula C25H32N4O4
and a molecular weight of 452.56 g/mol. Its IUPAC name is molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate.
Molecular Properties
| Compound Name | molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate |
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| PubChem CID | 160741748 |
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| Molecular Formula | C25H32N4O4 |
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| Molecular Weight | 452.56 g/mol |
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| Exact Mass | 452.24 |
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| IUPAC Name | molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate |
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| SMILES | Cc1ccc2c(N3CCC(NC(=O)O[C@@H]4CCOC4)CC3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H] |
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| InChI | InChI=1S/C25H28N4O4.2H2/c1-16-6-7-19-21(14-16)27-23(20-4-2-3-5-22(20)30)28-24(19)29-11-8-17(9-12-29)26-25(31)33-18-10-13-32-15-18;;/h2-7,14,17-18,30H,8-13,15H2,1H3,(H,26,31);2*1H/t18-;;/m1../s1 |
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| InChIKey | RVRHZRVZTDFFDU-JPKZNVRTSA-N |
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| XLogP | 4.29 |
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| TPSA | 96.81 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 452.56 |
| LogP ≤ 5 | 4.29 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?
The IUPAC name of molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate (CID 160741748) is molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?
The canonical SMILES for molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate is Cc1ccc2c(N3CCC(NC(=O)O[C@@H]4CCOC4)CC3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?
The InChIKey is RVRHZRVZTDFFDU-JPKZNVRTSA-N. The full InChI is InChI=1S/C25H28N4O4.2H2/c1-16-6-7-19-21(14-16)27-23(20-4-2-3-5-22(20)30)28-24(19)29-11-8-17(9-12-29)26-25(31)33-18-10-13-32-15-18;;/h2-7,14,17-18,30H,8-13,15H2,1H3,(H,26,31);2*1H/t18-;;/m1../s1.
What are the key properties of molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate?
molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate has a molecular weight of 452.56 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 160741748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).