4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane

C53H53Cl4N11O7 — CID 159650665

About 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane

4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane (PubChem CID 159650665) has the molecular formula C53H53Cl4N11O7 and a molecular weight of 1097.89 g/mol. Its IUPAC name is 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane.

Molecular Properties

• Compound Name: 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane
• PubChem CID: 159650665
• Molecular Formula: C53H53Cl4N11O7
• Molecular Weight: 1097.89 g/mol
• Exact Mass: 1095.29
• IUPAC Name: 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane
• SMILES: C.C.COCOc1cccc(-c2nc(Cl)nc3cc(Cl)cnc23)c1.COCOc1cccc(-c2nc(N3CCOCC3)nc3cc(Cl)cnc23)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3cc(Cl)cnc23)c1
• InChI: InChI=1S/C19H19ClN4O3.C17H15ClN4O2.C15H11Cl2N3O2.2CH4/c1-25-12-27-15-4-2-3-13(9-15)17-18-16(10-14(20)11-21-18)22-19(23-17)24-5-7-26-8-6-24;18-12-9-14-16(19-10-12)15(11-2-1-3-13(23)8-11)21-17(20-14)22-4-6-24-7-5-22;1-21-8-22-11-4-2-3-9(5-11)13-14-12(19-15(17)20-13)6-10(16)7-18-14;;/h2-4,9-11H,5-8,12H2,1H3;1-3,8-10,23H,4-7H2;2-7H,8H2,1H3;2*1H4
• InChIKey: MRNJFLQBNAIVLF-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 198.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.89
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane (CID 159650665) is 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane.

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

The canonical SMILES for 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane is C.C.COCOc1cccc(-c2nc(Cl)nc3cc(Cl)cnc23)c1.COCOc1cccc(-c2nc(N3CCOCC3)nc3cc(Cl)cnc23)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3cc(Cl)cnc23)c1.

What is the InChIKey of 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane?

The InChIKey is MRNJFLQBNAIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3.C17H15ClN4O2.C15H11Cl2N3O2.2CH4/c1-25-12-27-15-4-2-3-13(9-15)17-18-16(10-14(20)11-21-18)22-19(23-17)24-5-7-26-8-6-24;18-12-9-14-16(19-10-12)15(11-2-1-3-13(23)8-11)21-17(20-14)22-4-6-24-7-5-22;1-21-8-22-11-4-2-3-9(5-11)13-14-12(19-15(17)20-13)6-10(16)7-18-14;;/h2-4,9-11H,5-8,12H2,1H3;1-3,8-10,23H,4-7H2;2-7H,8H2,1H3;2*1H4.

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

4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane has a molecular weight of 1097.89 g/mol, XLogP of 11.31, 11 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-chloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-2-yl]morpholine;3-(7-chloro-2-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenol;2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine;methane is sourced from PubChem (CID 159650665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).