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

C20H22N4O4 — CID 66959821

IUPAC5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCO)c2c1=O
InChIInChI=1S/C20H22N4O4/c1-23-13-21-17-12-16(22-19(28-11-8-25)18(17)20(23)26)14-2-4-15(5-3-14)24-6-9-27-10-7-24/h2-5,12-13,25H,6-11H2,1H3
InChIKeyDEXMISARKJJZBB-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.20
Rot. Bonds5

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

5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959821) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959821
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCO)c2c1=O
InChIInChI=1S/C20H22N4O4/c1-23-13-21-17-12-16(22-19(28-11-8-25)18(17)20(23)26)14-2-4-15(5-3-14)24-6-9-27-10-7-24/h2-5,12-13,25H,6-11H2,1H3
InChIKeyDEXMISARKJJZBB-UHFFFAOYSA-N
XLogP1.20
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-aminocyclohexyl)oxy-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959385
3-methyl-5-(methylamino)-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123985024
5-[[(2R)-2,3-dihydroxypropyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959825
5-(1,3-dioxolan-2-ylmethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959637
5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959331
3-hydroxy-N-[3-methyl-7-(4-morpholin-4-ylphenyl)-4-oxopyrido[4,3-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide
CID 66959604
5-[[(2S)-1-hydroxypropan-2-yl]amino]-3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959711
5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959325
7-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959403
7-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959684
5-(2-hydroxypropan-2-ylamino)-3-methyl-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123716763
5-(2-hydroxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50924117

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959821) is 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCO)c2c1=O.
What is the InChIKey of 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DEXMISARKJJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-23-13-21-17-12-16(22-19(28-11-8-25)18(17)20(23)26)14-2-4-15(5-3-14)24-6-9-27-10-7-24/h2-5,12-13,25H,6-11H2,1H3.
What are the key properties of 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 382.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).