About N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 4130591) has the molecular formula C32H38N6O3S
and a molecular weight of 586.76 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
Molecular Properties
| Compound Name | N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide |
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| PubChem CID | 4130591 |
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| Molecular Formula | C32H38N6O3S |
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| Molecular Weight | 586.76 g/mol |
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| Exact Mass | 586.27 |
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| IUPAC Name | N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide |
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| SMILES | CN(C(=O)CSC1=Nc2ccccc2C2=NC(CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C1CCCCC1 |
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| InChI | InChI=1S/C32H38N6O3S/c1-35(23-10-4-2-5-11-23)29(40)22-42-32-34-26-15-9-8-14-25(26)30-33-27(31(41)38(30)32)16-17-28(39)37-20-18-36(19-21-37)24-12-6-3-7-13-24/h3,6-9,12-15,23,27H,2,4-5,10-11,16-22H2,1H3 |
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| InChIKey | OIVFUPHRGAFEKH-UHFFFAOYSA-N |
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| XLogP | 4.30 |
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| TPSA | 88.89 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 586.76 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 4130591) is N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is CN(C(=O)CSC1=Nc2ccccc2C2=NC(CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
The InChIKey is OIVFUPHRGAFEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O3S/c1-35(23-10-4-2-5-11-23)29(40)22-42-32-34-26-15-9-8-14-25(26)30-33-27(31(41)38(30)32)16-17-28(39)37-20-18-36(19-21-37)24-12-6-3-7-13-24/h3,6-9,12-15,23,27H,2,4-5,10-11,16-22H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide?
N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 586.76 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4130591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).