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

C22H20N4O2 — CID 135948942

IUPAC2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCNc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C22H20N4O2/c1-23-20-19-17(11-13-24-20)25-21(16-9-5-6-10-18(16)27)26(22(19)28)14-12-15-7-3-2-4-8-15/h2-11,13,27H,12,14H2,1H3,(H,23,24)
InChIKeyADNLMQLYZJFPJE-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.45
Rot. Bonds5

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

2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135948942) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID135948942
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCNc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C22H20N4O2/c1-23-20-19-17(11-13-24-20)25-21(16-9-5-6-10-18(16)27)26(22(19)28)14-12-15-7-3-2-4-8-15/h2-11,13,27H,12,14H2,1H3,(H,23,24)
InChIKeyADNLMQLYZJFPJE-UHFFFAOYSA-N
XLogP3.45
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-hydroxyphenyl)-5-(methylamino)-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-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948806
5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 58125003
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712805
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
CID 71105503
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
CID 135712775
6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 135464225
CID 135503775
CID 135503775
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
5-[4-(dimethylamino)phenyl]-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712739
N-[2-(2-hydroxyphenyl)-4-oxoquinazolin-3-yl]furan-2-carboxamide
CID 162658445

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (CID 135948942) is 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is CNc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ADNLMQLYZJFPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-23-20-19-17(11-13-24-20)25-21(16-9-5-6-10-18(16)27)26(22(19)28)14-12-15-7-3-2-4-8-15/h2-11,13,27H,12,14H2,1H3,(H,23,24).
What are the key properties of 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 372.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135948942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).