ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate

C19H19NO5 — CID 3240971

IUPACethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(c1cccnc1)O2
InChIInChI=1S/C19H19NO5/c1-3-23-18(22)12-24-14-6-7-17-15(9-14)16(21)10-19(2,25-17)13-5-4-8-20-11-13/h4-9,11H,3,10,12H2,1-2H3
InChIKeyMKTFDGBHXZCTPC-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.90
Rot. Bonds5

About ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate

ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate (PubChem CID 3240971) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate
PubChem CID3240971
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Nameethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(c1cccnc1)O2
InChIInChI=1S/C19H19NO5/c1-3-23-18(22)12-24-14-6-7-17-15(9-14)16(21)10-19(2,25-17)13-5-4-8-20-11-13/h4-9,11H,3,10,12H2,1-2H3
InChIKeyMKTFDGBHXZCTPC-UHFFFAOYSA-N
XLogP2.90
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate (CID 3240971) is ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate is CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(c1cccnc1)O2.
What is the InChIKey of ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate?
The InChIKey is MKTFDGBHXZCTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-23-18(22)12-24-14-6-7-17-15(9-14)16(21)10-19(2,25-17)13-5-4-8-20-11-13/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate?
ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate has a molecular weight of 341.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-4-oxo-2-pyridin-3-yl-3H-chromen-6-yl)oxy]acetate is sourced from PubChem (CID 3240971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).