N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide

C21H20N4O2 — CID 53094663

IUPACN-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C21H20N4O2/c1-14(26)15-8-10-16(11-9-15)22-21(27)19-20(25-12-4-5-13-25)24-18-7-3-2-6-17(18)23-19/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,27)
InChIKeyATXHVWYFMMRYBZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.68
Rot. Bonds4

About N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide

N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide (PubChem CID 53094663) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
PubChem CID53094663
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C21H20N4O2/c1-14(26)15-8-10-16(11-9-15)22-21(27)19-20(25-12-4-5-13-25)24-18-7-3-2-6-17(18)23-19/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,27)
InChIKeyATXHVWYFMMRYBZ-UHFFFAOYSA-N
XLogP3.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365174
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24590254
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16582380
ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
CID 22146675

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide (CID 53094663) is N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide is CC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide?
The InChIKey is ATXHVWYFMMRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14(26)15-8-10-16(11-9-15)22-21(27)19-20(25-12-4-5-13-25)24-18-7-3-2-6-17(18)23-19/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,27).
What are the key properties of N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide?
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 53094663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).