ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate

C17H14N2O3 — CID 3016145

IUPACethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(-c3ccncc3)ccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-10-19-15-9-12(3-4-13(15)16(14)20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20)
InChIKeyMZESMDMSRBNRBO-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.77
Rot. Bonds3

About ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate

ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate (PubChem CID 3016145) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate
PubChem CID3016145
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(-c3ccncc3)ccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-10-19-15-9-12(3-4-13(15)16(14)20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20)
InChIKeyMZESMDMSRBNRBO-UHFFFAOYSA-N
XLogP2.77
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate (CID 3016145) is ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2cc(-c3ccncc3)ccc2c1=O.
What is the InChIKey of ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate?
The InChIKey is MZESMDMSRBNRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-17(21)14-10-19-15-9-12(3-4-13(15)16(14)20)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate?
ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-7-pyridin-4-yl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3016145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).