About (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine
(NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine (PubChem CID 90038108) has the molecular formula C21H23N5O4
and a molecular weight of 409.45 g/mol. Its IUPAC name is (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine.
Molecular Properties
| Compound Name | (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine |
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| PubChem CID | 90038108 |
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| Molecular Formula | C21H23N5O4 |
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| Molecular Weight | 409.45 g/mol |
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| Exact Mass | 409.18 |
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| IUPAC Name | (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine |
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| SMILES | COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C/C=N/O)cc3n2)c1 |
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| InChI | InChI=1S/C21H23N5O4/c1-28-14-30-17-4-2-3-16(12-17)20-24-18-11-15(5-6-23-27)13-22-19(18)21(25-20)26-7-9-29-10-8-26/h2-4,6,11-13,27H,5,7-10,14H2,1H3/b23-6+ |
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| InChIKey | XXVKFJMTUAIMPD-TXNBCWFRSA-N |
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| XLogP | 2.51 |
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| TPSA | 102.19 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 | 30 |
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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 | 409.45 |
| LogP ≤ 5 | 2.51 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine (CID 90038108) is (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(C/C=N/O)cc3n2)c1.
What is the InChIKey of (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine?
The InChIKey is XXVKFJMTUAIMPD-TXNBCWFRSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-28-14-30-17-4-2-3-16(12-17)20-24-18-11-15(5-6-23-27)13-22-19(18)21(25-20)26-7-9-29-10-8-26/h2-4,6,11-13,27H,5,7-10,14H2,1H3/b23-6+.
What are the key properties of (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine?
(NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine has a molecular weight of 409.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 90038108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).