About 2-methylidene-3,4-dihydro-1H-quinazoline
2-methylidene-3,4-dihydro-1H-quinazoline (PubChem CID 59114609) has the molecular formula C9H10N2
and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methylidene-3,4-dihydro-1H-quinazoline.
Molecular Properties
| Compound Name | 2-methylidene-3,4-dihydro-1H-quinazoline |
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| PubChem CID | 59114609 |
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| Molecular Formula | C9H10N2 |
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| Molecular Weight | 146.19 g/mol |
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| Exact Mass | 146.08 |
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| IUPAC Name | 2-methylidene-3,4-dihydro-1H-quinazoline |
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| SMILES | C=C1NCc2ccccc2N1 |
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| InChI | InChI=1S/C9H10N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-5,10-11H,1,6H2 |
|---|
| InChIKey | KMRWEXDGXPENAM-UHFFFAOYSA-N |
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| XLogP | 1.67 |
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| TPSA | 24.06 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 146.19 |
| LogP ≤ 5 | 1.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-methylidene-3,4-dihydro-1H-quinazoline?
The IUPAC name of 2-methylidene-3,4-dihydro-1H-quinazoline (CID 59114609) is 2-methylidene-3,4-dihydro-1H-quinazoline.
What is the SMILES notation for 2-methylidene-3,4-dihydro-1H-quinazoline?
The canonical SMILES for 2-methylidene-3,4-dihydro-1H-quinazoline is C=C1NCc2ccccc2N1.
What is the InChIKey of 2-methylidene-3,4-dihydro-1H-quinazoline?
The InChIKey is KMRWEXDGXPENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-5,10-11H,1,6H2.
What are the key properties of 2-methylidene-3,4-dihydro-1H-quinazoline?
2-methylidene-3,4-dihydro-1H-quinazoline has a molecular weight of 146.19 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,4-dihydro-1H-quinazoline is sourced from PubChem (CID 59114609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).