[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C28H21N3O5 — CID 23802826

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C28H21N3O5/c32-25(31-13-3-7-18-6-1-2-8-22(18)31)17-36-28(33)19-11-12-20-21(16-19)30-27(24-10-5-15-35-24)26(29-20)23-9-4-14-34-23/h1-2,4-6,8-12,14-16H,3,7,13,17H2
InChIKeyYVZFUUMKDGLESN-UHFFFAOYSA-N
MW479.49 g/mol
LogP5.29
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23802826) has the molecular formula C28H21N3O5 and a molecular weight of 479.49 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
PubChem CID23802826
Molecular FormulaC28H21N3O5
Molecular Weight479.49 g/mol
Exact Mass479.15
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C28H21N3O5/c32-25(31-13-3-7-18-6-1-2-8-22(18)31)17-36-28(33)19-11-12-20-21(16-19)30-27(24-10-5-15-35-24)26(29-20)23-9-4-14-34-23/h1-2,4-6,8-12,14-16H,3,7,13,17H2
InChIKeyYVZFUUMKDGLESN-UHFFFAOYSA-N
XLogP5.29
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-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

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23860348
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23773676
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485239
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010543
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18081809
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23887588
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23831523
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404793
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 4783907

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23802826) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is O=C(OCC(=O)N1CCCc2ccccc21)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The InChIKey is YVZFUUMKDGLESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O5/c32-25(31-13-3-7-18-6-1-2-8-22(18)31)17-36-28(33)19-11-12-20-21(16-19)30-27(24-10-5-15-35-24)26(29-20)23-9-4-14-34-23/h1-2,4-6,8-12,14-16H,3,7,13,17H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 479.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23802826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).