1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one

C22H29N3O — CID 110355200

IUPAC1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
SMILESCC(Cc1ccccc1)C(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C22H29N3O/c1-18(17-19-9-5-4-6-10-19)22(26)25-16-15-24(14-13-23(2)3)20-11-7-8-12-21(20)25/h4-12,18H,13-17H2,1-3H3
InChIKeyFEYCYEYMLZKREI-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.28
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one

1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one (PubChem CID 110355200) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
PubChem CID110355200
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
SMILESCC(Cc1ccccc1)C(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C22H29N3O/c1-18(17-19-9-5-4-6-10-19)22(26)25-16-15-24(14-13-23(2)3)20-11-7-8-12-21(20)25/h4-12,18H,13-17H2,1-3H3
InChIKeyFEYCYEYMLZKREI-UHFFFAOYSA-N
XLogP3.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
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]-2-(4-fluorophenyl)ethanone
CID 110358678
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110612558
[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
(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one
CID 119891407
1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119895862

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one (CID 110355200) is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one is CC(Cc1ccccc1)C(=O)N1CCN(CCN(C)C)c2ccccc21.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
The InChIKey is FEYCYEYMLZKREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18(17-19-9-5-4-6-10-19)22(26)25-16-15-24(14-13-23(2)3)20-11-7-8-12-21(20)25/h4-12,18H,13-17H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one?
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one has a molecular weight of 351.49 g/mol, XLogP of 3.28, 6 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-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 110355200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).