diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate

C18H17NO6 — CID 102406664

IUPACdiethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate
SMILESCCOC(=O)C1=Cc2c(c3ccccc3oc2=O)NC1C(=O)OCC
InChIInChI=1S/C18H17NO6/c1-3-23-16(20)12-9-11-14(19-15(12)18(22)24-4-2)10-7-5-6-8-13(10)25-17(11)21/h5-9,15,19H,3-4H2,1-2H3
InChIKeyMKNOWPVGCGMZGK-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.10
Rot. Bonds4

About diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate

diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate (PubChem CID 102406664) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate
PubChem CID102406664
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Namediethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate
SMILESCCOC(=O)C1=Cc2c(c3ccccc3oc2=O)NC1C(=O)OCC
InChIInChI=1S/C18H17NO6/c1-3-23-16(20)12-9-11-14(19-15(12)18(22)24-4-2)10-7-5-6-8-13(10)25-17(11)21/h5-9,15,19H,3-4H2,1-2H3
InChIKeyMKNOWPVGCGMZGK-UHFFFAOYSA-N
XLogP2.10
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diethyl (3R)-3H-benzo[f]chromene-2,3-dicarboxylate
CID 102213966
diethyl 3H-benzo[f]chromene-2,3-dicarboxylate
CID 10496344
dimethyl 1-ethyl-5-oxo-2H-chromeno[4,3-b]pyridine-2,3-dicarboxylate
CID 102406665
ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
CID 11594938
ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
CID 53377063
ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
CID 57229796
ethyl 2-(4-bromophenyl)-5-oxo-4-phenyl-1,4-dihydrochromeno[4,3-b]pyridine-3-carboxylate
CID 122232573
ethyl (4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CID 985619
ethyl 4-(4-hydroxy-2-oxochromen-3-yl)-2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 146163882
ethyl 3-(2-methyl-1-benzofuran-3-yl)-5-oxopyrrolidine-2-carboxylate
CID 105360281
ethyl 2-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)-2,5-diphenyl-1,3-dihydropyrrole-4-carboxylate
CID 146163793
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921

Frequently Asked Questions

What is the IUPAC name of diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate (CID 102406664) is diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate is CCOC(=O)C1=Cc2c(c3ccccc3oc2=O)NC1C(=O)OCC.
What is the InChIKey of diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate?
The InChIKey is MKNOWPVGCGMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-3-23-16(20)12-9-11-14(19-15(12)18(22)24-4-2)10-7-5-6-8-13(10)25-17(11)21/h5-9,15,19H,3-4H2,1-2H3.
What are the key properties of diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate?
diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-oxo-1,2-dihydrochromeno[4,3-b]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 102406664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).