2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide

C22H23FN4O2 — CID 25163616

IUPAC2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2nc1CC
InChIInChI=1S/C22H23FN4O2/c1-4-17-18(5-2)26-20-11-14(9-10-19(20)25-17)22(29)27(3)13-21(28)24-16-8-6-7-15(23)12-16/h6-12H,4-5,13H2,1-3H3,(H,24,28)
InChIKeyZPYMKGPVCHCUGE-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.60
Rot. Bonds6

About 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide

2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide (PubChem CID 25163616) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
PubChem CID25163616
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2nc1CC
InChIInChI=1S/C22H23FN4O2/c1-4-17-18(5-2)26-20-11-14(9-10-19(20)25-17)22(29)27(3)13-21(28)24-16-8-6-7-15(23)12-16/h6-12H,4-5,13H2,1-3H3,(H,24,28)
InChIKeyZPYMKGPVCHCUGE-UHFFFAOYSA-N
XLogP3.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
The IUPAC name of 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide (CID 25163616) is 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
The canonical SMILES for 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2nc1CC.
What is the InChIKey of 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
The InChIKey is ZPYMKGPVCHCUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-4-17-18(5-2)26-20-11-14(9-10-19(20)25-17)22(29)27(3)13-21(28)24-16-8-6-7-15(23)12-16/h6-12H,4-5,13H2,1-3H3,(H,24,28).
What are the key properties of 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide?
2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide is sourced from PubChem (CID 25163616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).