1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone

C20H24FN3O — CID 110358678

IUPAC1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCN(C)CCN1CCN(C(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H24FN3O/c1-22(2)11-12-23-13-14-24(19-6-4-3-5-18(19)23)20(25)15-16-7-9-17(21)10-8-16/h3-10H,11-15H2,1-2H3
InChIKeySIBJPMWSKNOMHM-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 110358678) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID110358678
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCN(C)CCN1CCN(C(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H24FN3O/c1-22(2)11-12-23-13-14-24(19-6-4-3-5-18(19)23)20(25)15-16-7-9-17(21)10-8-16/h3-10H,11-15H2,1-2H3
InChIKeySIBJPMWSKNOMHM-UHFFFAOYSA-N
XLogP2.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
CID 110417885
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
CID 84512347
4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110358714
2-(4-aminophenyl)-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)ethanone;dihydrochloride
CID 119883791
2-(4-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 110361453
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107030058
tert-butyl 4-[(4-fluorophenyl)methyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 170439481
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
2-(4-aminophenyl)-1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanone;dihydrochloride
CID 119889126

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone (CID 110358678) is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone is CN(C)CCN1CCN(C(=O)Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is SIBJPMWSKNOMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-22(2)11-12-23-13-14-24(19-6-4-3-5-18(19)23)20(25)15-16-7-9-17(21)10-8-16/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 341.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110358678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).