6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione

C23H22N4O4 — CID 67566890

IUPAC6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
SMILESCCN1CCCC1CNC1=CC(=O)c2nc(-c3ccco3)c(-c3ccco3)nc2C1=O
InChIInChI=1S/C23H22N4O4/c1-2-27-9-3-6-14(27)13-24-15-12-16(28)19-22(23(15)29)26-21(18-8-5-11-31-18)20(25-19)17-7-4-10-30-17/h4-5,7-8,10-12,14,24H,2-3,6,9,13H2,1H3
InChIKeyNRRDIAMDQDOWAF-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.33
Rot. Bonds6

About 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione

6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione (PubChem CID 67566890) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
PubChem CID67566890
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione
SMILESCCN1CCCC1CNC1=CC(=O)c2nc(-c3ccco3)c(-c3ccco3)nc2C1=O
InChIInChI=1S/C23H22N4O4/c1-2-27-9-3-6-14(27)13-24-15-12-16(28)19-22(23(15)29)26-21(18-8-5-11-31-18)20(25-19)17-7-4-10-30-17/h4-5,7-8,10-12,14,24H,2-3,6,9,13H2,1H3
InChIKeyNRRDIAMDQDOWAF-UHFFFAOYSA-N
XLogP3.33
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione with MolForge

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
CID 117164362
5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 45166348
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(furan-2-yl)-1-(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016639
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 45199858
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitro-1,3-benzoxazol-2-amine
CID 79881994
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 43081483
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
The IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione (CID 67566890) is 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
The canonical SMILES for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione is CCN1CCCC1CNC1=CC(=O)c2nc(-c3ccco3)c(-c3ccco3)nc2C1=O.
What is the InChIKey of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
The InChIKey is NRRDIAMDQDOWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-2-27-9-3-6-14(27)13-24-15-12-16(28)19-22(23(15)29)26-21(18-8-5-11-31-18)20(25-19)17-7-4-10-30-17/h4-5,7-8,10-12,14,24H,2-3,6,9,13H2,1H3.
What are the key properties of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione?
6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione has a molecular weight of 418.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-bis(furan-2-yl)quinoxaline-5,8-dione is sourced from PubChem (CID 67566890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).