About [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 11720815) has the molecular formula C31H34N6O3
and a molecular weight of 538.65 g/mol. Its IUPAC name is [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone |
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| PubChem CID | 11720815 |
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| Molecular Formula | C31H34N6O3 |
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| Molecular Weight | 538.65 g/mol |
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| Exact Mass | 538.27 |
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| IUPAC Name | [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone |
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| SMILES | Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCOCC6)ncn4-5)CC3)cccc2n1 |
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| InChI | InChI=1S/C31H34N6O3/c1-22-8-9-24-25(33-22)5-3-6-26(24)35-14-12-34(13-15-35)11-10-23-4-2-7-27-30(23)40-20-28-29(32-21-37(27)28)31(38)36-16-18-39-19-17-36/h2-9,21H,10-20H2,1H3 |
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| InChIKey | FUDKWFQKXWHRLB-UHFFFAOYSA-N |
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| XLogP | 3.46 |
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| TPSA | 75.96 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 538.65 |
| LogP ≤ 5 | 3.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone (CID 11720815) is [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone is Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4c(C(=O)N6CCOCC6)ncn4-5)CC3)cccc2n1.
What is the InChIKey of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FUDKWFQKXWHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O3/c1-22-8-9-24-25(33-22)5-3-6-26(24)35-14-12-34(13-15-35)11-10-23-4-2-7-27-30(23)40-20-28-29(32-21-37(27)28)31(38)36-16-18-39-19-17-36/h2-9,21H,10-20H2,1H3.
What are the key properties of [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone?
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 538.65 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11720815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).