2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one

C24H23N3O3 — CID 135948805

IUPAC2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Oc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C24H23N3O3/c1-16(2)30-23-21-19(12-14-25-23)26-22(18-10-6-7-11-20(18)28)27(24(21)29)15-13-17-8-4-3-5-9-17/h3-12,14,16,28H,13,15H2,1-2H3
InChIKeyTYJSBSSFPIVEOM-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.19
Rot. Bonds6

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

2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one (PubChem CID 135948805) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
PubChem CID135948805
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Oc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C24H23N3O3/c1-16(2)30-23-21-19(12-14-25-23)26-22(18-10-6-7-11-20(18)28)27(24(21)29)15-13-17-8-4-3-5-9-17/h3-12,14,16,28H,13,15H2,1-2H3
InChIKeyTYJSBSSFPIVEOM-UHFFFAOYSA-N
XLogP4.19
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one (CID 135948805) is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one is CC(C)Oc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The InChIKey is TYJSBSSFPIVEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16(2)30-23-21-19(12-14-25-23)26-22(18-10-6-7-11-20(18)28)27(24(21)29)15-13-17-8-4-3-5-9-17/h3-12,14,16,28H,13,15H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135948805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).