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

C22H26N4O3 — CID 22579816

IUPACN-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCCCNC(=O)CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-2-3-13-23-20(27)15-25-18-11-7-8-12-19(18)26(16-21(25)28)22(29)24-14-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,27)(H,24,29)
InChIKeyQNNIBVYLFQINPY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.67
Rot. Bonds7

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

N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 22579816) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID22579816
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCCCCNC(=O)CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-2-3-13-23-20(27)15-25-18-11-7-8-12-19(18)26(16-21(25)28)22(29)24-14-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,27)(H,24,29)
InChIKeyQNNIBVYLFQINPY-UHFFFAOYSA-N
XLogP2.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579826
N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide
CID 22579766
N-benzyl-4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579781
N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579787
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579762
N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579814
N-benzyl-4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579772
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091019
4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091020
N-(4-methylphenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
CID 53091004
4-[2-(3-methylbutylamino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091000
4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091082

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (CID 22579816) is N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is CCCCNC(=O)CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is QNNIBVYLFQINPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-3-13-23-20(27)15-25-18-11-7-8-12-19(18)26(16-21(25)28)22(29)24-14-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,27)(H,24,29).
What are the key properties of N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(butylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 22579816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).