4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide

C24H24N4O4 — CID 30869878

IUPAC4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)N2CC(=O)Nc3ccccc32)Cc2ccco2)cc1
InChIInChI=1S/C24H24N4O4/c1-25-24(31)18-10-8-17(9-11-18)13-27(14-19-5-4-12-32-19)16-23(30)28-15-22(29)26-20-6-2-3-7-21(20)28/h2-12H,13-16H2,1H3,(H,25,31)(H,26,29)
InChIKeyBGAJUIUBRLSGQX-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.63
Rot. Bonds7

About 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide

4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide (PubChem CID 30869878) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
PubChem CID30869878
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CC(=O)N2CC(=O)Nc3ccccc32)Cc2ccco2)cc1
InChIInChI=1S/C24H24N4O4/c1-25-24(31)18-10-8-17(9-11-18)13-27(14-19-5-4-12-32-19)16-23(30)28-15-22(29)26-20-6-2-3-7-21(20)28/h2-12H,13-16H2,1H3,(H,25,31)(H,26,29)
InChIKeyBGAJUIUBRLSGQX-UHFFFAOYSA-N
XLogP2.63
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide with MolForge

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Related Compounds

4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 9125740
4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
CID 86879111
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8919402
2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18088269
4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8746830
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719
4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9349298
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2091720

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide (CID 30869878) is 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(CC(=O)N2CC(=O)Nc3ccccc32)Cc2ccco2)cc1.
What is the InChIKey of 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
The InChIKey is BGAJUIUBRLSGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-25-24(31)18-10-8-17(9-11-18)13-27(14-19-5-4-12-32-19)16-23(30)28-15-22(29)26-20-6-2-3-7-21(20)28/h2-12H,13-16H2,1H3,(H,25,31)(H,26,29).
What are the key properties of 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide has a molecular weight of 432.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 30869878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).