1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione

C23H29N3O2 — CID 110355198

IUPAC1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
SMILESCN(C)CCN1CCN(C(=O)CCCC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H29N3O2/c1-24(2)15-16-25-17-18-26(21-12-7-6-11-20(21)25)23(28)14-8-13-22(27)19-9-4-3-5-10-19/h3-7,9-12H,8,13-18H2,1-2H3
InChIKeyMNLHJKWEBPZTPJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.45
Rot. Bonds8

About 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione

1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione (PubChem CID 110355198) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
PubChem CID110355198
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
SMILESCN(C)CCN1CCN(C(=O)CCCC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H29N3O2/c1-24(2)15-16-25-17-18-26(21-12-7-6-11-20(21)25)23(28)14-8-13-22(27)19-9-4-3-5-10-19/h3-7,9-12H,8,13-18H2,1-2H3
InChIKeyMNLHJKWEBPZTPJ-UHFFFAOYSA-N
XLogP3.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-2-(4-fluorophenyl)ethanone
CID 110358678
[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
CID 84512347
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110355200
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
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one
CID 119883796
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 79192627
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(methylamino)butan-1-one;dihydrochloride
CID 119883795
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 166328690

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione (CID 110355198) is 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione is CN(C)CCN1CCN(C(=O)CCCC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione?
The InChIKey is MNLHJKWEBPZTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-24(2)15-16-25-17-18-26(21-12-7-6-11-20(21)25)23(28)14-8-13-22(27)19-9-4-3-5-10-19/h3-7,9-12H,8,13-18H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione?
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione has a molecular weight of 379.50 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione is sourced from PubChem (CID 110355198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).