About 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one (PubChem CID 71621635) has the molecular formula C35H30F2N6O5
and a molecular weight of 652.66 g/mol. Its IUPAC name is 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one.
Molecular Properties
| Compound Name | 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one |
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| PubChem CID | 71621635 |
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| Molecular Formula | C35H30F2N6O5 |
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| Molecular Weight | 652.66 g/mol |
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| Exact Mass | 652.22 |
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| IUPAC Name | 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one |
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| SMILES | COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCN1CCOCC1 |
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| InChI | InChI=1S/C35H30F2N6O5/c1-45-30-17-24-28(18-31(30)47-15-12-43-10-13-46-14-11-43)40-20-41-35(24)48-29-7-6-23(16-26(29)37)42-34-32-27(8-9-38-34)39-19-25(33(32)44)21-2-4-22(36)5-3-21/h2-9,16-20H,10-15H2,1H3,(H,38,42)(H,39,44) |
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| InChIKey | YDQADFBBNGXWBN-UHFFFAOYSA-N |
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| XLogP | 6.07 |
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| TPSA | 123.72 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 652.66 |
| LogP ≤ 5 | 6.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The IUPAC name of 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one (CID 71621635) is 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one is COc1cc2c(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)ncnc2cc1OCCN1CCOCC1.
What is the InChIKey of 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The InChIKey is YDQADFBBNGXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F2N6O5/c1-45-30-17-24-28(18-31(30)47-15-12-43-10-13-46-14-11-43)40-20-41-35(24)48-29-7-6-23(16-26(29)37)42-34-32-27(8-9-38-34)39-19-25(33(32)44)21-2-4-22(36)5-3-21/h2-9,16-20H,10-15H2,1H3,(H,38,42)(H,39,44).
What are the key properties of 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one has a molecular weight of 652.66 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 71621635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).