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

C25H22N4O5 — CID 46869092

IUPAC4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C25H22N4O5/c1-33-20-8-3-2-7-17(20)18-14-19(24(31)32)26-23-21(15-5-4-6-16(30)13-15)27-25(28-22(18)23)29-9-11-34-12-10-29/h2-8,13-14,30H,9-12H2,1H3,(H,31,32)
InChIKeyXFGFPAOLLDIQBC-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.61
Rot. Bonds5

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

4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869092) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869092
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C25H22N4O5/c1-33-20-8-3-2-7-17(20)18-14-19(24(31)32)26-23-21(15-5-4-6-16(30)13-15)27-25(28-22(18)23)29-9-11-34-12-10-29/h2-8,13-14,30H,9-12H2,1H3,(H,31,32)
InChIKeyXFGFPAOLLDIQBC-UHFFFAOYSA-N
XLogP3.61
TPSA117.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869092) is 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COc1ccccc1-c1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is XFGFPAOLLDIQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-33-20-8-3-2-7-17(20)18-14-19(24(31)32)26-23-21(15-5-4-6-16(30)13-15)27-25(28-22(18)23)29-9-11-34-12-10-29/h2-8,13-14,30H,9-12H2,1H3,(H,31,32).
What are the key properties of 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 458.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-8-(2-methoxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).