3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one

C16H23N3O — CID 82157117

IUPAC3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one
SMILESCC1(C)Nc2ccccc2N(CCN2CCCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-16(2)15(20)19(12-11-18-9-5-6-10-18)14-8-4-3-7-13(14)17-16/h3-4,7-8,17H,5-6,9-12H2,1-2H3
InChIKeyABBQMZFHXFYMTH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.32
Rot. Bonds3

About 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one

3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one (PubChem CID 82157117) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one
PubChem CID82157117
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one
SMILESCC1(C)Nc2ccccc2N(CCN2CCCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-16(2)15(20)19(12-11-18-9-5-6-10-18)14-8-4-3-7-13(14)17-16/h3-4,7-8,17H,5-6,9-12H2,1-2H3
InChIKeyABBQMZFHXFYMTH-UHFFFAOYSA-N
XLogP2.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-prop-2-ynyl-4H-quinoxalin-2-one
CID 71692507
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63309791
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030577
5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione
CID 119921166
5-butyl-3,3-dimethyl-1,2-dihydro-1,5-benzodiazepin-4-one
CID 117015905
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119921165
1-(4-methoxybutyl)-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione
CID 104650470
5,5-dimethyl-3-[3-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]propyl]imidazolidine-2,4-dione
CID 97314106
11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione
CID 163455724

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one (CID 82157117) is 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one is CC1(C)Nc2ccccc2N(CCN2CCCC2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one?
The InChIKey is ABBQMZFHXFYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2)15(20)19(12-11-18-9-5-6-10-18)14-8-4-3-7-13(14)17-16/h3-4,7-8,17H,5-6,9-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one?
3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)-4H-quinoxalin-2-one is sourced from PubChem (CID 82157117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).