2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one

C22H23N3O2 — CID 68934354

IUPAC2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)NCCC2
InChIInChI=1S/C22H23N3O2/c1-27-19-12-6-5-10-17(19)21-24-18-11-7-14-23-20(18)22(26)25(21)15-13-16-8-3-2-4-9-16/h2-6,8-10,12,23H,7,11,13-15H2,1H3
InChIKeyQHUXUTUMCAZSLI-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one

2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one (PubChem CID 68934354) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one
PubChem CID68934354
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)NCCC2
InChIInChI=1S/C22H23N3O2/c1-27-19-12-6-5-10-17(19)21-24-18-11-7-14-23-20(18)22(26)25(21)15-13-16-8-3-2-4-9-16/h2-6,8-10,12,23H,7,11,13-15H2,1H3
InChIKeyQHUXUTUMCAZSLI-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one (CID 68934354) is 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one is COc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)NCCC2.
What is the InChIKey of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one?
The InChIKey is QHUXUTUMCAZSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-19-12-6-5-10-17(19)21-24-18-11-7-14-23-20(18)22(26)25(21)15-13-16-8-3-2-4-9-16/h2-6,8-10,12,23H,7,11,13-15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one?
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one has a molecular weight of 361.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 68934354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).