About N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine (PubChem CID 163290973) has the molecular formula C30H35N7O2
and a molecular weight of 525.66 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine.
Molecular Properties
| Compound Name | N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine |
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| PubChem CID | 163290973 |
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| Molecular Formula | C30H35N7O2 |
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| Molecular Weight | 525.66 g/mol |
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| Exact Mass | 525.29 |
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| IUPAC Name | N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine |
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| SMILES | COc1cc2c(cc1Nc1ncc3ccc(OCC4CCN(c5cncc(C)n5)CC4)cc3n1)CN(C)CC2 |
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| InChI | InChI=1S/C30H35N7O2/c1-20-15-31-17-29(33-20)37-10-6-21(7-11-37)19-39-25-5-4-23-16-32-30(34-26(23)14-25)35-27-12-24-18-36(2)9-8-22(24)13-28(27)38-3/h4-5,12-17,21H,6-11,18-19H2,1-3H3,(H,32,34,35) |
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| InChIKey | WGOJDIQWWJLBNU-UHFFFAOYSA-N |
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| XLogP | 4.76 |
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| TPSA | 88.53 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 525.66 |
| LogP ≤ 5 | 4.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine (CID 163290973) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(OCC4CCN(c5cncc(C)n5)CC4)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine?
The InChIKey is WGOJDIQWWJLBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-20-15-31-17-29(33-20)37-10-6-21(7-11-37)19-39-25-5-4-23-16-32-30(34-26(23)14-25)35-27-12-24-18-36(2)9-8-22(24)13-28(27)38-3/h4-5,12-17,21H,6-11,18-19H2,1-3H3,(H,32,34,35).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine has a molecular weight of 525.66 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methoxy]quinazolin-2-amine is sourced from PubChem (CID 163290973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).