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

C22H19N3O2 — CID 135948888

IUPAC2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C22H19N3O2/c1-15-20-18(11-13-23-15)24-21(17-9-5-6-10-19(17)26)25(22(20)27)14-12-16-7-3-2-4-8-16/h2-11,13,26H,12,14H2,1H3
InChIKeyXMIBOXFXXLMHGQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.72
Rot. Bonds4

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

2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135948888) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID135948888
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C22H19N3O2/c1-15-20-18(11-13-23-15)24-21(17-9-5-6-10-19(17)26)25(22(20)27)14-12-16-7-3-2-4-8-16/h2-11,13,26H,12,14H2,1H3
InChIKeyXMIBOXFXXLMHGQ-UHFFFAOYSA-N
XLogP3.72
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (CID 135948888) is 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is Cc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XMIBOXFXXLMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-20-18(11-13-23-15)24-21(17-9-5-6-10-19(17)26)25(22(20)27)14-12-16-7-3-2-4-8-16/h2-11,13,26H,12,14H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 357.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135948888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).