3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide

C20H20N4O — CID 110862119

IUPAC3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O/c1-14-19(23-18-7-3-2-6-17(18)21-14)20(25)22-15-8-10-16(11-9-15)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,25)
InChIKeyLBNXCOGONDMRNK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.79
Rot. Bonds3

About 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide

3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide (PubChem CID 110862119) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
PubChem CID110862119
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O/c1-14-19(23-18-7-3-2-6-17(18)21-14)20(25)22-15-8-10-16(11-9-15)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,25)
InChIKeyLBNXCOGONDMRNK-UHFFFAOYSA-N
XLogP3.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 110689293
N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide (CID 110862119) is 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide is Cc1nc2ccccc2nc1C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
The InChIKey is LBNXCOGONDMRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-19(23-18-7-3-2-6-17(18)21-14)20(25)22-15-8-10-16(11-9-15)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,25).
What are the key properties of 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 110862119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).