2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H18N2O3 — CID 22516095

IUPAC2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(C)ccc1O2
InChIInChI=1S/C20H18N2O3/c1-3-24-17-7-5-4-6-14(17)18-21-19(23)15-11-13-10-12(2)8-9-16(13)25-20(15)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyUNZUHRYHSBYIDD-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22516095) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22516095
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(C)ccc1O2
InChIInChI=1S/C20H18N2O3/c1-3-24-17-7-5-4-6-14(17)18-21-19(23)15-11-13-10-12(2)8-9-16(13)25-20(15)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyUNZUHRYHSBYIDD-UHFFFAOYSA-N
XLogP3.84
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22516095) is 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is CCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(C)ccc1O2.
What is the InChIKey of 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is UNZUHRYHSBYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-24-17-7-5-4-6-14(17)18-21-19(23)15-11-13-10-12(2)8-9-16(13)25-20(15)22-18/h4-10H,3,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 334.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-7-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22516095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).