About N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 56591564) has the molecular formula C30H24F4N6O2
and a molecular weight of 576.55 g/mol. Its IUPAC name is N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
Molecular Properties
| Compound Name | N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine |
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| PubChem CID | 56591564 |
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| Molecular Formula | C30H24F4N6O2 |
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| Molecular Weight | 576.55 g/mol |
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| Exact Mass | 576.19 |
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| IUPAC Name | N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine |
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| SMILES | Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1nc(N2CCOCC2)ncc1-c1ccc(OC(F)F)cc1 |
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| InChI | InChI=1S/C30H24F4N6O2/c1-17-26(23-4-2-3-9-35-23)37-24-15-19(31)14-22(32)25(24)27(17)38-28-21(18-5-7-20(8-6-18)42-29(33)34)16-36-30(39-28)40-10-12-41-13-11-40/h2-9,14-16,29H,10-13H2,1H3,(H,36,37,38,39) |
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| InChIKey | BSMDPZFQOMAVOG-UHFFFAOYSA-N |
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| XLogP | 6.52 |
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| TPSA | 85.29 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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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
2 violations
| Rule | Value |
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| MW ≤ 500 | 576.55 |
| LogP ≤ 5 | 6.52 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 56591564) is N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1nc(N2CCOCC2)ncc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is BSMDPZFQOMAVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F4N6O2/c1-17-26(23-4-2-3-9-35-23)37-24-15-19(31)14-22(32)25(24)27(17)38-28-21(18-5-7-20(8-6-18)42-29(33)34)16-36-30(39-28)40-10-12-41-13-11-40/h2-9,14-16,29H,10-13H2,1H3,(H,36,37,38,39).
What are the key properties of N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 576.55 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-ylpyrimidin-4-yl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 56591564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).