1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione

C23H28N2O3 — CID 166328690

IUPAC1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)N2CCN(CC)c3ccccc32)cc1
InChIInChI=1S/C23H28N2O3/c1-3-17-28-19-11-9-18(10-12-19)22(26)13-14-23(27)25-16-15-24(4-2)20-7-5-6-8-21(20)25/h5-12H,3-4,13-17H2,1-2H3
InChIKeyUHZFLFBVKDTJGL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.31
Rot. Bonds8

About 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione

1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione (PubChem CID 166328690) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
PubChem CID166328690
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)N2CCN(CC)c3ccccc32)cc1
InChIInChI=1S/C23H28N2O3/c1-3-17-28-19-11-9-18(10-12-19)22(26)13-14-23(27)25-16-15-24(4-2)20-7-5-6-8-21(20)25/h5-12H,3-4,13-17H2,1-2H3
InChIKeyUHZFLFBVKDTJGL-UHFFFAOYSA-N
XLogP4.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
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-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 78777581
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
1-(3-aminopiperidin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 119377036
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 55547976
1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55851103

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione (CID 166328690) is 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione is CCCOc1ccc(C(=O)CCC(=O)N2CCN(CC)c3ccccc32)cc1.
What is the InChIKey of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione?
The InChIKey is UHZFLFBVKDTJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-17-28-19-11-9-18(10-12-19)22(26)13-14-23(27)25-16-15-24(4-2)20-7-5-6-8-21(20)25/h5-12H,3-4,13-17H2,1-2H3.
What are the key properties of 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione?
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione has a molecular weight of 380.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 166328690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).