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

C21H22N4O6 — CID 46869090

IUPAC4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCOc1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C21H22N4O6/c1-29-9-10-31-16-12-15(20(27)28)22-19-17(13-3-2-4-14(26)11-13)23-21(24-18(16)19)25-5-7-30-8-6-25/h2-4,11-12,26H,5-10H2,1H3,(H,27,28)
InChIKeySKTSAQCWWXDXGW-UHFFFAOYSA-N
MW426.43 g/mol
LogP1.96
Rot. Bonds7

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

4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869090) has the molecular formula C21H22N4O6 and a molecular weight of 426.43 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869090
Molecular FormulaC21H22N4O6
Molecular Weight426.43 g/mol
Exact Mass426.15
IUPAC Name4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCOc1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C21H22N4O6/c1-29-9-10-31-16-12-15(20(27)28)22-19-17(13-3-2-4-14(26)11-13)23-21(24-18(16)19)25-5-7-30-8-6-25/h2-4,11-12,26H,5-10H2,1H3,(H,27,28)
InChIKeySKTSAQCWWXDXGW-UHFFFAOYSA-N
XLogP1.96
TPSA127.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869090) is 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCCOc1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is SKTSAQCWWXDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6/c1-29-9-10-31-16-12-15(20(27)28)22-19-17(13-3-2-4-14(26)11-13)23-21(24-18(16)19)25-5-7-30-8-6-25/h2-4,11-12,26H,5-10H2,1H3,(H,27,28).
What are the key properties of 4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-hydroxyphenyl)-8-(2-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 426.43 g/mol, XLogP of 1.96, 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-methoxyethoxy)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).