N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide

C21H23FN4O3 — CID 22579766

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide
SMILESCCCNC(=O)CN1C(=O)CN(C(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN4O3/c1-2-11-23-19(27)13-25-17-5-3-4-6-18(17)26(14-20(25)28)21(29)24-12-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,27)(H,24,29)
InChIKeyPXWQWISCRGNKSL-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.41
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide

N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide (PubChem CID 22579766) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide
PubChem CID22579766
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide
SMILESCCCNC(=O)CN1C(=O)CN(C(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN4O3/c1-2-11-23-19(27)13-25-17-5-3-4-6-18(17)26(14-20(25)28)21(29)24-12-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,27)(H,24,29)
InChIKeyPXWQWISCRGNKSL-UHFFFAOYSA-N
XLogP2.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579762
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-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579826
N-benzyl-4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579787
N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 22579814
4-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091019
N-(4-fluorophenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
CID 53091048
4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091020
4-[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 92752235
2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46342432
4-[2-(3-methylbutylamino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091000

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide (CID 22579766) is N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide is CCCNC(=O)CN1C(=O)CN(C(=O)NCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide?
The InChIKey is PXWQWISCRGNKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-2-11-23-19(27)13-25-17-5-3-4-6-18(17)26(14-20(25)28)21(29)24-12-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,27)(H,24,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-4-[2-oxo-2-(propylamino)ethyl]-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 22579766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).