1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one

C18H23N3O — CID 167866721

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
SMILESCC(Cc1cnc2ccccc2n1)C(=O)N1CCCC1(C)C
InChIInChI=1S/C18H23N3O/c1-13(17(22)21-10-6-9-18(21,2)3)11-14-12-19-15-7-4-5-8-16(15)20-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3
InChIKeyMBFXQTAQVDBTHM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.21
Rot. Bonds3

About 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one

1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one (PubChem CID 167866721) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
PubChem CID167866721
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
SMILESCC(Cc1cnc2ccccc2n1)C(=O)N1CCCC1(C)C
InChIInChI=1S/C18H23N3O/c1-13(17(22)21-10-6-9-18(21,2)3)11-14-12-19-15-7-4-5-8-16(15)20-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3
InChIKeyMBFXQTAQVDBTHM-UHFFFAOYSA-N
XLogP3.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one (CID 167866721) is 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one is CC(Cc1cnc2ccccc2n1)C(=O)N1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
The InChIKey is MBFXQTAQVDBTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(17(22)21-10-6-9-18(21,2)3)11-14-12-19-15-7-4-5-8-16(15)20-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one?
1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one is sourced from PubChem (CID 167866721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).