4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C22H25N5O5 — CID 46869089

IUPAC4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C22H25N5O5/c1-26(6-9-31-2)17-13-16(21(29)30)23-20-18(14-4-3-5-15(28)12-14)24-22(25-19(17)20)27-7-10-32-11-8-27/h3-5,12-13,28H,6-11H2,1-2H3,(H,29,30)
InChIKeyJQEXFNPFXYKLGO-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.01
Rot. Bonds7

About 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869089) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869089
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C22H25N5O5/c1-26(6-9-31-2)17-13-16(21(29)30)23-20-18(14-4-3-5-15(28)12-14)24-22(25-19(17)20)27-7-10-32-11-8-27/h3-5,12-13,28H,6-11H2,1-2H3,(H,29,30)
InChIKeyJQEXFNPFXYKLGO-UHFFFAOYSA-N
XLogP2.01
TPSA121.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869089) is 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCCN(C)c1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is JQEXFNPFXYKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-26(6-9-31-2)17-13-16(21(29)30)23-20-18(14-4-3-5-15(28)12-14)24-22(25-19(17)20)27-7-10-32-11-8-27/h3-5,12-13,28H,6-11H2,1-2H3,(H,29,30).
What are the key properties of 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 439.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).