2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one

C25H25N3O3 — CID 135948806

IUPAC2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)COc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C25H25N3O3/c1-17(2)16-31-24-22-20(12-14-26-24)27-23(19-10-6-7-11-21(19)29)28(25(22)30)15-13-18-8-4-3-5-9-18/h3-12,14,17,29H,13,15-16H2,1-2H3
InChIKeyGEUHNRAKIVCHBU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.44
Rot. Bonds7

About 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one

2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135948806) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID135948806
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)COc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C25H25N3O3/c1-17(2)16-31-24-22-20(12-14-26-24)27-23(19-10-6-7-11-21(19)29)28(25(22)30)15-13-18-8-4-3-5-9-18/h3-12,14,17,29H,13,15-16H2,1-2H3
InChIKeyGEUHNRAKIVCHBU-UHFFFAOYSA-N
XLogP4.44
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948942
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
CID 71105503
5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 58125003
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
CID 135712775
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712805
6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 135464225
CID 135503775
CID 135503775
2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 68929895
3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
CID 135430569
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
CID 135401163
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione
CID 171984246

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (CID 135948806) is 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is CC(C)COc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GEUHNRAKIVCHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(2)16-31-24-22-20(12-14-26-24)27-23(19-10-6-7-11-21(19)29)28(25(22)30)15-13-18-8-4-3-5-9-18/h3-12,14,17,29H,13,15-16H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 415.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135948806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).