About 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325521) has the molecular formula C24H24FN7O3
and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
Molecular Properties
| Compound Name | 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one |
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| PubChem CID | 134325521 |
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| Molecular Formula | C24H24FN7O3 |
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| Molecular Weight | 477.50 g/mol |
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| Exact Mass | 477.19 |
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| IUPAC Name | 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one |
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| SMILES | CNCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1 |
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| InChI | InChI=1S/C24H24FN7O3/c1-26-5-6-35-15-7-18(25)23(28-11-15)32-22-17-8-16(14-10-29-30(2)13-14)21(34-4)9-19(17)27-12-20(22)31(3)24(32)33/h7-13,26H,5-6H2,1-4H3 |
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| InChIKey | BBCXUZQPAHUINT-UHFFFAOYSA-N |
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| XLogP | 2.42 |
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| TPSA | 101.02 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 477.50 |
| LogP ≤ 5 | 2.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325521) is 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is CNCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.
What is the InChIKey of 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is BBCXUZQPAHUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O3/c1-26-5-6-35-15-7-18(25)23(28-11-15)32-22-17-8-16(14-10-29-30(2)13-14)21(34-4)9-19(17)27-12-20(22)31(3)24(32)33/h7-13,26H,5-6H2,1-4H3.
What are the key properties of 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 477.50 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-(methylamino)ethoxy]-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).