1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one

C18H27N3O — CID 110361424

IUPAC1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C18H27N3O/c1-2-7-18(22)21-15-14-20(13-12-19-10-5-6-11-19)16-8-3-4-9-17(16)21/h3-4,8-9H,2,5-7,10-15H2,1H3
InChIKeyOHZGVSQOFQMYNW-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.74
Rot. Bonds5

About 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one

1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one (PubChem CID 110361424) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
PubChem CID110361424
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCN2CCCC2)c2ccccc21
InChIInChI=1S/C18H27N3O/c1-2-7-18(22)21-15-14-20(13-12-19-10-5-6-11-19)16-8-3-4-9-17(16)21/h3-4,8-9H,2,5-7,10-15H2,1H3
InChIKeyOHZGVSQOFQMYNW-UHFFFAOYSA-N
XLogP2.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361480
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 110361453
(4-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361439
(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361448
2,2-dimethyl-1-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361546
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one
CID 119883796
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride
CID 119883795
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
1-[(2-chlorophenyl)methyl]-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxaline
CID 170156297
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 79192627
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
CID 110417885

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one (CID 110361424) is 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one is CCCC(=O)N1CCN(CCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one?
The InChIKey is OHZGVSQOFQMYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-7-18(22)21-15-14-20(13-12-19-10-5-6-11-19)16-8-3-4-9-17(16)21/h3-4,8-9H,2,5-7,10-15H2,1H3.
What are the key properties of 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one?
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one has a molecular weight of 301.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one is sourced from PubChem (CID 110361424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).