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

C20H23N5O3 — CID 66959669

IUPAC5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCN)c2c1=O
InChIInChI=1S/C20H23N5O3/c1-24-13-22-17-12-16(23-19(28-9-6-21)18(17)20(24)26)14-2-4-15(5-3-14)25-7-10-27-11-8-25/h2-5,12-13H,6-11,21H2,1H3
InChIKeyYKCXQROQKJJPME-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.17
Rot. Bonds5

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

5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959669) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959669
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCN)c2c1=O
InChIInChI=1S/C20H23N5O3/c1-24-13-22-17-12-16(23-19(28-9-6-21)18(17)20(24)26)14-2-4-15(5-3-14)25-7-10-27-11-8-25/h2-5,12-13H,6-11,21H2,1H3
InChIKeyYKCXQROQKJJPME-UHFFFAOYSA-N
XLogP1.17
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959669) is 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCN)c2c1=O.
What is the InChIKey of 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YKCXQROQKJJPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-13-22-17-12-16(23-19(28-9-6-21)18(17)20(24)26)14-2-4-15(5-3-14)25-7-10-27-11-8-25/h2-5,12-13H,6-11,21H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 381.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).