methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

C17H15NO4 — CID 1478328

IUPACmethyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCc1nc2oc3ccc(C)cc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C17H15NO4/c1-4-13-10(17(20)21-3)8-12-15(19)11-7-9(2)5-6-14(11)22-16(12)18-13/h5-8H,4H2,1-3H3
InChIKeyQZOUXGBYSKAFKD-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.00
Rot. Bonds2

About methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate

methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 1478328) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID1478328
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCCc1nc2oc3ccc(C)cc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C17H15NO4/c1-4-13-10(17(20)21-3)8-12-15(19)11-7-9(2)5-6-14(11)22-16(12)18-13/h5-8H,4H2,1-3H3
InChIKeyQZOUXGBYSKAFKD-UHFFFAOYSA-N
XLogP3.00
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 1478328) is methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is CCc1nc2oc3ccc(C)cc3c(=O)c2cc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is QZOUXGBYSKAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-4-13-10(17(20)21-3)8-12-15(19)11-7-9(2)5-6-14(11)22-16(12)18-13/h5-8H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 1478328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).