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

C18H15ClN4O4 — CID 46869088

IUPAC8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C18H15ClN4O4/c19-12-9-13(17(25)26)20-16-14(10-2-1-3-11(24)8-10)21-18(22-15(12)16)23-4-6-27-7-5-23/h1-3,8-9,24H,4-7H2,(H,25,26)
InChIKeyXZOLXQXRMGCPAP-UHFFFAOYSA-N
MW386.80 g/mol
LogP2.59
Rot. Bonds3

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

8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869088) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869088
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC Name8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2n1
InChIInChI=1S/C18H15ClN4O4/c19-12-9-13(17(25)26)20-16-14(10-2-1-3-11(24)8-10)21-18(22-15(12)16)23-4-6-27-7-5-23/h1-3,8-9,24H,4-7H2,(H,25,26)
InChIKeyXZOLXQXRMGCPAP-UHFFFAOYSA-N
XLogP2.59
TPSA108.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869088) is 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc(Cl)c2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2n1.
What is the InChIKey of 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is XZOLXQXRMGCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c19-12-9-13(17(25)26)20-16-14(10-2-1-3-11(24)8-10)21-18(22-15(12)16)23-4-6-27-7-5-23/h1-3,8-9,24H,4-7H2,(H,25,26).
What are the key properties of 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 386.80 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(3-hydroxyphenyl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).