About 2-(4-amino-6-methoxyquinazolin-2-yl)phenol
2-(4-amino-6-methoxyquinazolin-2-yl)phenol (PubChem CID 137271406) has the molecular formula C15H13N3O2
and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(4-amino-6-methoxyquinazolin-2-yl)phenol.
Molecular Properties
| Compound Name | 2-(4-amino-6-methoxyquinazolin-2-yl)phenol |
| PubChem CID | 137271406 |
| Molecular Formula | C15H13N3O2 |
| Molecular Weight | 267.29 g/mol |
| Exact Mass | 267.10 |
| IUPAC Name | 2-(4-amino-6-methoxyquinazolin-2-yl)phenol |
| SMILES | COc1ccc2nc(-c3ccccc3O)nc(N)c2c1 |
| InChI | InChI=1S/C15H13N3O2/c1-20-9-6-7-12-11(8-9)14(16)18-15(17-12)10-4-2-3-5-13(10)19/h2-8,19H,1H3,(H2,16,17,18) |
| InChIKey | IZPXXZLJHBVGMT-UHFFFAOYSA-N |
| XLogP | 2.59 |
| TPSA | 81.26 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 267.29 |
| LogP ≤ 5 | 2.59 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-amino-6-methoxyquinazolin-2-yl)phenol?
The IUPAC name of 2-(4-amino-6-methoxyquinazolin-2-yl)phenol (CID 137271406) is 2-(4-amino-6-methoxyquinazolin-2-yl)phenol.
What is the SMILES notation for 2-(4-amino-6-methoxyquinazolin-2-yl)phenol?
The canonical SMILES for 2-(4-amino-6-methoxyquinazolin-2-yl)phenol is COc1ccc2nc(-c3ccccc3O)nc(N)c2c1.
What is the InChIKey of 2-(4-amino-6-methoxyquinazolin-2-yl)phenol?
The InChIKey is IZPXXZLJHBVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-9-6-7-12-11(8-9)14(16)18-15(17-12)10-4-2-3-5-13(10)19/h2-8,19H,1H3,(H2,16,17,18).
What are the key properties of 2-(4-amino-6-methoxyquinazolin-2-yl)phenol?
2-(4-amino-6-methoxyquinazolin-2-yl)phenol has a molecular weight of 267.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methoxyquinazolin-2-yl)phenol is sourced from PubChem (CID 137271406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).