N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

C23H22N4O4 — CID 22579787

IUPACN-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H22N4O4/c28-21(24-14-18-9-6-12-31-18)15-26-19-10-4-5-11-20(19)27(16-22(26)29)23(30)25-13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,28)(H,25,30)
InChIKeyJWFLCLMOAYDPOP-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.66
Rot. Bonds6

About N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 22579787) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID22579787
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C23H22N4O4/c28-21(24-14-18-9-6-12-31-18)15-26-19-10-4-5-11-20(19)27(16-22(26)29)23(30)25-13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,28)(H,25,30)
InChIKeyJWFLCLMOAYDPOP-UHFFFAOYSA-N
XLogP2.66
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579816
N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579781
N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579814
N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579826
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide
CID 22579766
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579762
N-benzyl-4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579772
N-(furan-2-ylmethyl)-2-[(2S)-2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 51409437
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 2145420

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (CID 22579787) is N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCc1ccco1.
What is the InChIKey of N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is JWFLCLMOAYDPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c28-21(24-14-18-9-6-12-31-18)15-26-19-10-4-5-11-20(19)27(16-22(26)29)23(30)25-13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,28)(H,25,30).
What are the key properties of N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 22579787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).