2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H18N2O4 — CID 22516096

IUPAC2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cccc(OC)c1O2
InChIInChI=1S/C20H18N2O4/c1-3-25-15-9-5-4-8-13(15)18-21-19(23)14-11-12-7-6-10-16(24-2)17(12)26-20(14)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyGTNIETWSIAZYJR-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22516096) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22516096
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cccc(OC)c1O2
InChIInChI=1S/C20H18N2O4/c1-3-25-15-9-5-4-8-13(15)18-21-19(23)14-11-12-7-6-10-16(24-2)17(12)26-20(14)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyGTNIETWSIAZYJR-UHFFFAOYSA-N
XLogP3.54
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22516096) is 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is CCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cccc(OC)c1O2.
What is the InChIKey of 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is GTNIETWSIAZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-25-15-9-5-4-8-13(15)18-21-19(23)14-11-12-7-6-10-16(24-2)17(12)26-20(14)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 350.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22516096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).