2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate

C20H17N3O4 — CID 166211201

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate
SMILESO=C1CCc2cc(OCCOC(=O)c3cccc4nccnc34)ccc2N1
InChIInChI=1S/C20H17N3O4/c24-18-7-4-13-12-14(5-6-16(13)23-18)26-10-11-27-20(25)15-2-1-3-17-19(15)22-9-8-21-17/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,23,24)
InChIKeyVJCTWSWHDGTJSV-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate (PubChem CID 166211201) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate
PubChem CID166211201
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate
SMILESO=C1CCc2cc(OCCOC(=O)c3cccc4nccnc34)ccc2N1
InChIInChI=1S/C20H17N3O4/c24-18-7-4-13-12-14(5-6-16(13)23-18)26-10-11-27-20(25)15-2-1-3-17-19(15)22-9-8-21-17/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,23,24)
InChIKeyVJCTWSWHDGTJSV-UHFFFAOYSA-N
XLogP2.75
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl 2-oxo-1H-pyridine-3-carboxylate
CID 56824771
2-(3-methylphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646110
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 60562887
N-methyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carboxamide
CID 133318185
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
pyridine;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88752389
6-(4-pyridin-2-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20539996

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate (CID 166211201) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate is O=C1CCc2cc(OCCOC(=O)c3cccc4nccnc34)ccc2N1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate?
The InChIKey is VJCTWSWHDGTJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-18-7-4-13-12-14(5-6-16(13)23-18)26-10-11-27-20(25)15-2-1-3-17-19(15)22-9-8-21-17/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,23,24).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate is sourced from PubChem (CID 166211201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).