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

C18H16N4O4 — CID 46869444

IUPAC4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C18H16N4O4/c23-12-3-1-2-11(10-12)15-16-13(4-5-14(19-16)17(24)25)20-18(21-15)22-6-8-26-9-7-22/h1-5,10,23H,6-9H2,(H,24,25)
InChIKeyNXQUDXIRTPWRGK-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.93
Rot. Bonds3

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

4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869444) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869444
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C18H16N4O4/c23-12-3-1-2-11(10-12)15-16-13(4-5-14(19-16)17(24)25)20-18(21-15)22-6-8-26-9-7-22/h1-5,10,23H,6-9H2,(H,24,25)
InChIKeyNXQUDXIRTPWRGK-UHFFFAOYSA-N
XLogP1.93
TPSA108.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869444) is 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is O=C(O)c1ccc2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2n1.
What is the InChIKey of 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is NXQUDXIRTPWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-12-3-1-2-11(10-12)15-16-13(4-5-14(19-16)17(24)25)20-18(21-15)22-6-8-26-9-7-22/h1-5,10,23H,6-9H2,(H,24,25).
What are the key properties of 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).