5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C21H24N4O4 — CID 66959460

IUPAC5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCOc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O4/c1-24-14-22-18-13-17(23-20(19(18)21(24)26)29-12-11-27-2)15-3-5-16(6-4-15)25-7-9-28-10-8-25/h3-6,13-14H,7-12H2,1-2H3
InChIKeyGNRLYJVSGXBTKI-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.86
Rot. Bonds6

About 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959460) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959460
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCOc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O4/c1-24-14-22-18-13-17(23-20(19(18)21(24)26)29-12-11-27-2)15-3-5-16(6-4-15)25-7-9-28-10-8-25/h3-6,13-14H,7-12H2,1-2H3
InChIKeyGNRLYJVSGXBTKI-UHFFFAOYSA-N
XLogP1.86
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959460) is 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is COCCOc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GNRLYJVSGXBTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-24-14-22-18-13-17(23-20(19(18)21(24)26)29-12-11-27-2)15-3-5-16(6-4-15)25-7-9-28-10-8-25/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 396.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).