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

C30H25N3O5 — CID 23860348

IUPAC[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCCC(OC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C30H25N3O5/c1-2-24(29(34)33-15-5-9-19-8-3-4-10-23(19)33)38-30(35)20-13-14-21-22(18-20)32-28(26-12-7-17-37-26)27(31-21)25-11-6-16-36-25/h3-4,6-8,10-14,16-18,24H,2,5,9,15H2,1H3
InChIKeyQRFMXKBWKMDPLO-UHFFFAOYSA-N
MW507.55 g/mol
LogP6.06
Rot. Bonds6

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

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23860348) has the molecular formula C30H25N3O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
PubChem CID23860348
Molecular FormulaC30H25N3O5
Molecular Weight507.55 g/mol
Exact Mass507.18
IUPAC Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCCC(OC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C30H25N3O5/c1-2-24(29(34)33-15-5-9-19-8-3-4-10-23(19)33)38-30(35)20-13-14-21-22(18-20)32-28(26-12-7-17-37-26)27(31-21)25-11-6-16-36-25/h3-4,6-8,10-14,16-18,24H,2,5,9,15H2,1H3
InChIKeyQRFMXKBWKMDPLO-UHFFFAOYSA-N
XLogP6.06
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23802826
[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl] 3-aminobenzoate
CID 23888136
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 28636053
[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23972149
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 29246718
[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxobutan-2-yl] pyridine-3-carboxylate
CID 23944113
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23773676
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510699
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23972121
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 43044511
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)benzimidazol-1-yl]ethanone
CID 1176479
[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23832104

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23860348) is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is CCC(OC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The InChIKey is QRFMXKBWKMDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O5/c1-2-24(29(34)33-15-5-9-19-8-3-4-10-23(19)33)38-30(35)20-13-14-21-22(18-20)32-28(26-12-7-17-37-26)27(31-21)25-11-6-16-36-25/h3-4,6-8,10-14,16-18,24H,2,5,9,15H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 507.55 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23860348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).