4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one

C20H18N2O4 — CID 51117187

IUPAC4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCOc1ccc2c(c1)C=C(C(=O)N1CC(=O)Nc3ccccc31)CO2
InChIInChI=1S/C20H18N2O4/c1-2-25-15-7-8-18-13(10-15)9-14(12-26-18)20(24)22-11-19(23)21-16-5-3-4-6-17(16)22/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyXJPHTXYQTRNZPU-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.85
Rot. Bonds3

About 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 51117187) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID51117187
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCOc1ccc2c(c1)C=C(C(=O)N1CC(=O)Nc3ccccc31)CO2
InChIInChI=1S/C20H18N2O4/c1-2-25-15-7-8-18-13(10-15)9-14(12-26-18)20(24)22-11-19(23)21-16-5-3-4-6-17(16)22/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyXJPHTXYQTRNZPU-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 51117187) is 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one is CCOc1ccc2c(c1)C=C(C(=O)N1CC(=O)Nc3ccccc31)CO2.
What is the InChIKey of 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is XJPHTXYQTRNZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-15-7-8-18-13(10-15)9-14(12-26-18)20(24)22-11-19(23)21-16-5-3-4-6-17(16)22/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 350.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-2H-chromene-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 51117187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).