About pyrido[2,1-b]quinazolin-1-one
pyrido[2,1-b]quinazolin-1-one (PubChem CID 57053784) has the molecular formula C12H8N2O
and a molecular weight of 196.21 g/mol. Its IUPAC name is pyrido[2,1-b]quinazolin-1-one.
Molecular Properties
| Compound Name | pyrido[2,1-b]quinazolin-1-one |
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| PubChem CID | 57053784 |
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| Molecular Formula | C12H8N2O |
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| Molecular Weight | 196.21 g/mol |
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| Exact Mass | 196.06 |
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| IUPAC Name | pyrido[2,1-b]quinazolin-1-one |
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| SMILES | O=c1cccc2nc3ccccn3cc1-2 |
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| InChI | InChI=1S/C12H8N2O/c15-11-5-3-4-10-9(11)8-14-7-2-1-6-12(14)13-10/h1-8H |
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| InChIKey | ORWNQZVVRUUREW-UHFFFAOYSA-N |
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| XLogP | 1.80 |
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| TPSA | 34.37 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 196.21 |
| LogP ≤ 5 | 1.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of pyrido[2,1-b]quinazolin-1-one?
The IUPAC name of pyrido[2,1-b]quinazolin-1-one (CID 57053784) is pyrido[2,1-b]quinazolin-1-one.
What is the SMILES notation for pyrido[2,1-b]quinazolin-1-one?
The canonical SMILES for pyrido[2,1-b]quinazolin-1-one is O=c1cccc2nc3ccccn3cc1-2.
What is the InChIKey of pyrido[2,1-b]quinazolin-1-one?
The InChIKey is ORWNQZVVRUUREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-11-5-3-4-10-9(11)8-14-7-2-1-6-12(14)13-10/h1-8H.
What are the key properties of pyrido[2,1-b]quinazolin-1-one?
pyrido[2,1-b]quinazolin-1-one has a molecular weight of 196.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,1-b]quinazolin-1-one is sourced from PubChem (CID 57053784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).