4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C₁₀₄H₉₃Cl₆N₂₅O₁₃ — CID 158054249

About 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 158054249) has the molecular formula C₁₀₄H₉₃Cl₆N₂₅O₁₃ and a molecular weight of 2113.77 g/mol. Its IUPAC name is 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
• PubChem CID: 158054249
• Molecular Formula: C₁₀₄H₉₃Cl₆N₂₅O₁₃
• Molecular Weight: 2113.77 g/mol
• Exact Mass: 2109.55
• IUPAC Name: 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
• SMILES: COc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.OCc1cccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)c1.Oc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.Oc1cccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)c1.Oc1ccccc1-c1nc(N2CCOCC2)c2ncc(Cl)cc2n1
• InChI: InChI=1S/2C18H17ClN4O2.C17H14ClN5O3.3C17H15ClN4O2/c1-24-14-4-2-12(3-5-14)17-21-15-10-13(19)11-20-16(15)18(22-17)23-6-8-25-9-7-23;19-14-9-15-16(20-10-14)18(23-4-6-25-7-5-23)22-17(21-15)13-3-1-2-12(8-13)11-24;18-12-9-14-15(19-10-12)17(22-5-7-26-8-6-22)21-16(20-14)11-1-3-13(4-2-11)23(24)25;18-12-9-14-15(19-10-12)17(22-5-7-24-8-6-22)21-16(20-14)11-1-3-13(23)4-2-11;18-12-9-14-15(19-10-12)17(22-4-6-24-7-5-22)21-16(20-14)11-2-1-3-13(23)8-11;18-11-9-13-15(19-10-11)17(22-5-7-24-8-6-22)21-16(20-13)12-3-1-2-4-14(12)23/h2-5,10-11H,6-9H2,1H3;1-3,8-10,24H,4-7,11H2;1-4,9-10H,5-8H2;1-4,9-10,23H,5-8H2;1-3,8-10,23H,4-7H2;1-4,9-10,23H,5-8H2
• InChIKey: FJVTZROUWHWPQZ-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 440.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.77
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 158054249) is 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is COc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.OCc1cccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)c1.Oc1ccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)cc1.Oc1cccc(-c2nc(N3CCOCC3)c3ncc(Cl)cc3n2)c1.Oc1ccccc1-c1nc(N2CCOCC2)c2ncc(Cl)cc2n1.

What is the InChIKey of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?

The InChIKey is FJVTZROUWHWPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17ClN4O2.C17H14ClN5O3.3C17H15ClN4O2/c1-24-14-4-2-12(3-5-14)17-21-15-10-13(19)11-20-16(15)18(22-17)23-6-8-25-9-7-23;19-14-9-15-16(20-10-14)18(23-4-6-25-7-5-23)22-17(21-15)13-3-1-2-12(8-13)11-24;18-12-9-14-15(19-10-12)17(22-5-7-26-8-6-22)21-16(20-14)11-1-3-13(4-2-11)23(24)25;18-12-9-14-15(19-10-12)17(22-5-7-24-8-6-22)21-16(20-14)11-1-3-13(23)4-2-11;18-12-9-14-15(19-10-12)17(22-4-6-24-7-5-22)21-16(20-14)11-2-1-3-13(23)8-11;18-11-9-13-15(19-10-11)17(22-5-7-24-8-6-22)21-16(20-13)12-3-1-2-4-14(12)23/h2-5,10-11H,6-9H2,1H3;1-3,8-10,24H,4-7,11H2;1-4,9-10H,5-8H2;1-4,9-10,23H,5-8H2;1-3,8-10,23H,4-7H2;1-4,9-10,23H,5-8H2.

What are the key properties of 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?

4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 2113.77 g/mol, XLogP of 17.62, 15 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158054249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158054249 — identifiers, structure, computed properties (public domain)

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