3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide

C20H21FN4O — CID 46365100

IUPAC3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide
SMILESCCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C20H21FN4O/c1-4-25(5-2)19-18(23-16-8-6-7-9-17(16)24-19)20(26)22-14-11-10-13(3)15(21)12-14/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyKATIOOOOFSWKAZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.18
Rot. Bonds5

About 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide

3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide (PubChem CID 46365100) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide
PubChem CID46365100
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide
SMILESCCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C20H21FN4O/c1-4-25(5-2)19-18(23-16-8-6-7-9-17(16)24-19)20(26)22-14-11-10-13(3)15(21)12-14/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyKATIOOOOFSWKAZ-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide
CID 46365158
N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide
CID 46365134
3-(diethylamino)-N-(3-methoxyphenyl)quinoxaline-2-carboxamide
CID 46365121
ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
CID 46365119
4-(diethylamino)-N-(3-fluoro-4-methylphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4054118
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide
CID 24762045
5-amino-1-benzyl-N-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 50927803
3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 24652605
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3282398

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide (CID 46365100) is 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide is CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide?
The InChIKey is KATIOOOOFSWKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-4-25(5-2)19-18(23-16-8-6-7-9-17(16)24-19)20(26)22-14-11-10-13(3)15(21)12-14/h6-12H,4-5H2,1-3H3,(H,22,26).
What are the key properties of 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide?
3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).