2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H18N2O2 — CID 7187716

IUPAC2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(C)c2O3)cc1
InChIInChI=1S/C20H18N2O2/c1-3-13-7-9-14(10-8-13)18-21-19(23)16-11-15-6-4-5-12(2)17(15)24-20(16)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyWIRWNKPSJZVVDK-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.00
Rot. Bonds2

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

2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 7187716) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID7187716
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(C)c2O3)cc1
InChIInChI=1S/C20H18N2O2/c1-3-13-7-9-14(10-8-13)18-21-19(23)16-11-15-6-4-5-12(2)17(15)24-20(16)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyWIRWNKPSJZVVDK-UHFFFAOYSA-N
XLogP4.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylphenyl)-9-methyl-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-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 7187716) is 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is CCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(C)c2O3)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is WIRWNKPSJZVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-3-13-7-9-14(10-8-13)18-21-19(23)16-11-15-6-4-5-12(2)17(15)24-20(16)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-9-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7187716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).