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

C19H19N5O4 — CID 46869443

IUPAC4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C19H19N5O4/c1-20-13-10-14(18(26)27)21-17-15(11-3-2-4-12(25)9-11)22-19(23-16(13)17)24-5-7-28-8-6-24/h2-4,9-10,25H,5-8H2,1H3,(H,20,21)(H,26,27)
InChIKeyVZMHIIQRDPYAEQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.97
Rot. Bonds4

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

4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869443) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869443
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C19H19N5O4/c1-20-13-10-14(18(26)27)21-17-15(11-3-2-4-12(25)9-11)22-19(23-16(13)17)24-5-7-28-8-6-24/h2-4,9-10,25H,5-8H2,1H3,(H,20,21)(H,26,27)
InChIKeyVZMHIIQRDPYAEQ-UHFFFAOYSA-N
XLogP1.97
TPSA120.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869443) is 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CNc1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is VZMHIIQRDPYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-20-13-10-14(18(26)27)21-17-15(11-3-2-4-12(25)9-11)22-19(23-16(13)17)24-5-7-28-8-6-24/h2-4,9-10,25H,5-8H2,1H3,(H,20,21)(H,26,27).
What are the key properties of 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 381.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).