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

C25H23N3O3 — CID 135948804

IUPAC5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(OC3CCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C25H23N3O3/c29-21-12-5-4-11-19(21)23-27-20-13-15-26-24(31-18-9-6-10-18)22(20)25(30)28(23)16-14-17-7-2-1-3-8-17/h1-5,7-8,11-13,15,18,29H,6,9-10,14,16H2
InChIKeyZKJXXEMCUBJMMC-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.34
Rot. Bonds6

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

5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135948804) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID135948804
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(OC3CCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C25H23N3O3/c29-21-12-5-4-11-19(21)23-27-20-13-15-26-24(31-18-9-6-10-18)22(20)25(30)28(23)16-14-17-7-2-1-3-8-17/h1-5,7-8,11-13,15,18,29H,6,9-10,14,16H2
InChIKeyZKJXXEMCUBJMMC-UHFFFAOYSA-N
XLogP4.34
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (CID 135948804) is 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is O=c1c2c(OC3CCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1.
What is the InChIKey of 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZKJXXEMCUBJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-21-12-5-4-11-19(21)23-27-20-13-15-26-24(31-18-9-6-10-18)22(20)25(30)28(23)16-14-17-7-2-1-3-8-17/h1-5,7-8,11-13,15,18,29H,6,9-10,14,16H2.
What are the key properties of 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 413.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyloxy-2-(2-hydroxyphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135948804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).