9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H18N2O4 — CID 7120019

IUPAC9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCOc1cccc2c1Oc1nc(-c3cccc(OC)c3)[nH]c(=O)c1C2
InChIInChI=1S/C20H18N2O4/c1-3-25-16-9-5-6-12-11-15-19(23)21-18(22-20(15)26-17(12)16)13-7-4-8-14(10-13)24-2/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyIILDQKBMOCOSIM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.54
Rot. Bonds4

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

9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 7120019) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID7120019
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCOc1cccc2c1Oc1nc(-c3cccc(OC)c3)[nH]c(=O)c1C2
InChIInChI=1S/C20H18N2O4/c1-3-25-16-9-5-6-12-11-15-19(23)21-18(22-20(15)26-17(12)16)13-7-4-8-14(10-13)24-2/h4-10H,3,11H2,1-2H3,(H,21,22,23)
InChIKeyIILDQKBMOCOSIM-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

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 7120019) is 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is CCOc1cccc2c1Oc1nc(-c3cccc(OC)c3)[nH]c(=O)c1C2.
What is the InChIKey of 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is IILDQKBMOCOSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-25-16-9-5-6-12-11-15-19(23)21-18(22-20(15)26-17(12)16)13-7-4-8-14(10-13)24-2/h4-10H,3,11H2,1-2H3,(H,21,22,23).
What are the key properties of 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
9-ethoxy-2-(3-methoxyphenyl)-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 9-ethoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7120019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).