7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

C19H16N2O3 — CID 162649691

IUPAC7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc2c(c1)C=C1C(=O)NC(c3ccc(O)cc3)=NC1O2
InChIInChI=1S/C19H16N2O3/c1-2-11-3-8-16-13(9-11)10-15-18(23)20-17(21-19(15)24-16)12-4-6-14(22)7-5-12/h3-10,19,22H,2H2,1H3,(H,20,21,23)
InChIKeyDUMPAGVQAZBVAU-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.63
Rot. Bonds2

About 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 162649691) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID162649691
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc2c(c1)C=C1C(=O)NC(c3ccc(O)cc3)=NC1O2
InChIInChI=1S/C19H16N2O3/c1-2-11-3-8-16-13(9-11)10-15-18(23)20-17(21-19(15)24-16)12-4-6-14(22)7-5-12/h3-10,19,22H,2H2,1H3,(H,20,21,23)
InChIKeyDUMPAGVQAZBVAU-UHFFFAOYSA-N
XLogP2.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 162649691) is 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is CCc1ccc2c(c1)C=C1C(=O)NC(c3ccc(O)cc3)=NC1O2.
What is the InChIKey of 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is DUMPAGVQAZBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-11-3-8-16-13(9-11)10-15-18(23)20-17(21-19(15)24-16)12-4-6-14(22)7-5-12/h3-10,19,22H,2H2,1H3,(H,20,21,23).
What are the key properties of 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162649691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).