2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate

C17H16N2O5 — CID 56824771

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C1CCc2cc(OCCOC(=O)c3ccc[nH]c3=O)ccc2N1
InChIInChI=1S/C17H16N2O5/c20-15-6-3-11-10-12(4-5-14(11)19-15)23-8-9-24-17(22)13-2-1-7-18-16(13)21/h1-2,4-5,7,10H,3,6,8-9H2,(H,18,21)(H,19,20)
InChIKeySFULYQKGIYCABS-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.50
Rot. Bonds5

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 56824771) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate
PubChem CID56824771
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C1CCc2cc(OCCOC(=O)c3ccc[nH]c3=O)ccc2N1
InChIInChI=1S/C17H16N2O5/c20-15-6-3-11-10-12(4-5-14(11)19-15)23-8-9-24-17(22)13-2-1-7-18-16(13)21/h1-2,4-5,7,10H,3,6,8-9H2,(H,18,21)(H,19,20)
InChIKeySFULYQKGIYCABS-UHFFFAOYSA-N
XLogP1.50
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate
CID 166211201
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646110
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-methyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carboxamide
CID 133318185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate (CID 56824771) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate is O=C1CCc2cc(OCCOC(=O)c3ccc[nH]c3=O)ccc2N1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is SFULYQKGIYCABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c20-15-6-3-11-10-12(4-5-14(11)19-15)23-8-9-24-17(22)13-2-1-7-18-16(13)21/h1-2,4-5,7,10H,3,6,8-9H2,(H,18,21)(H,19,20).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 56824771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).