ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate

C20H19NO6 — CID 161065299

IUPACethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(C)C(=O)OCC
InChIInChI=1S/C20H19NO6/c1-4-25-19(23)11(3)16-13(20(24)26-5-2)10-14-17(22)12-8-6-7-9-15(12)27-18(14)21-16/h6-11H,4-5H2,1-3H3
InChIKeyUDYDNCRNBRYFQK-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.18
Rot. Bonds5

About ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate

ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 161065299) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID161065299
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Nameethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(C)C(=O)OCC
InChIInChI=1S/C20H19NO6/c1-4-25-19(23)11(3)16-13(20(24)26-5-2)10-14-17(22)12-8-6-7-9-15(12)27-18(14)21-16/h6-11H,4-5H2,1-3H3
InChIKeyUDYDNCRNBRYFQK-UHFFFAOYSA-N
XLogP3.18
TPSA95.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(3,5-dichloroanilino)ethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 2764657
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 1475272
ethyl 2-amino-7-(3,3-dimethylbutyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 130276879
2-(3-ethoxycarbonyl-7-ethyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70514893
benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747356
ethyl 2-amino-5-oxochromeno[4,3-b]pyridin-1-ium-3-carboxylate
CID 7056969
ethyl 4-(4-methoxyphenyl)-9-oxo-3-phenylxanthene-2-carboxylate
CID 164686101
ethyl 2-fluoro-2-(7-fluoro-3-methyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetate
CID 50905474
butyl 2,8-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 161065299) is ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is UDYDNCRNBRYFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-4-25-19(23)11(3)16-13(20(24)26-5-2)10-14-17(22)12-8-6-7-9-15(12)27-18(14)21-16/h6-11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 161065299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).