About [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol (PubChem CID 58799295) has the molecular formula C31H30ClN9O
and a molecular weight of 580.10 g/mol. Its IUPAC name is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol.
Molecular Properties
| Compound Name | [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol |
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| PubChem CID | 58799295 |
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| Molecular Formula | C31H30ClN9O |
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| Molecular Weight | 580.10 g/mol |
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| Exact Mass | 579.23 |
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| IUPAC Name | [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol |
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| SMILES | CN1CCN(Cc2ccc(C(O)(c3ccc4c(c3)c(-c3cccc(Cl)c3)nc3nnnn34)c3cncn3C)cc2)CC1 |
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| InChI | InChI=1S/C31H30ClN9O/c1-38-12-14-40(15-13-38)19-21-6-8-23(9-7-21)31(42,28-18-33-20-39(28)2)24-10-11-27-26(17-24)29(22-4-3-5-25(32)16-22)34-30-35-36-37-41(27)30/h3-11,16-18,20,42H,12-15,19H2,1-2H3 |
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| InChIKey | ILIMZOPFNKQWDJ-UHFFFAOYSA-N |
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| XLogP | 3.76 |
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| TPSA | 100.50 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 580.10 |
| LogP ≤ 5 | 3.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
The IUPAC name of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol (CID 58799295) is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol is CN1CCN(Cc2ccc(C(O)(c3ccc4c(c3)c(-c3cccc(Cl)c3)nc3nnnn34)c3cncn3C)cc2)CC1.
What is the InChIKey of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
The InChIKey is ILIMZOPFNKQWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN9O/c1-38-12-14-40(15-13-38)19-21-6-8-23(9-7-21)31(42,28-18-33-20-39(28)2)24-10-11-27-26(17-24)29(22-4-3-5-25(32)16-22)34-30-35-36-37-41(27)30/h3-11,16-18,20,42H,12-15,19H2,1-2H3.
What are the key properties of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol?
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol has a molecular weight of 580.10 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 58799295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).