3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one

C23H26FN5O2 — CID 91951087

IUPAC3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
SMILESCN(C)c1nc2ccccc2n(CCC(=O)N2CCN(c3ccccc3F)CC2)c1=O
InChIInChI=1S/C23H26FN5O2/c1-26(2)22-23(31)29(20-10-6-4-8-18(20)25-22)12-11-21(30)28-15-13-27(14-16-28)19-9-5-3-7-17(19)24/h3-10H,11-16H2,1-2H3
InChIKeyKQFHBDGEDZVZAT-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.34
Rot. Bonds5

About 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one

3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one (PubChem CID 91951087) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
PubChem CID91951087
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
SMILESCN(C)c1nc2ccccc2n(CCC(=O)N2CCN(c3ccccc3F)CC2)c1=O
InChIInChI=1S/C23H26FN5O2/c1-26(2)22-23(31)29(20-10-6-4-8-18(20)25-22)12-11-21(30)28-15-13-27(14-16-28)19-9-5-3-7-17(19)24/h3-10H,11-16H2,1-2H3
InChIKeyKQFHBDGEDZVZAT-UHFFFAOYSA-N
XLogP2.34
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one 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

tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate
CID 91951145
3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 91951068
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 40673693
N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide
CID 91951115
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84578028
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 34865373
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
CID 22330323
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-3-oxopropane-1-sulfonamide
CID 110343327

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one?
The IUPAC name of 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one (CID 91951087) is 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one?
The canonical SMILES for 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one is CN(C)c1nc2ccccc2n(CCC(=O)N2CCN(c3ccccc3F)CC2)c1=O.
What is the InChIKey of 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one?
The InChIKey is KQFHBDGEDZVZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-26(2)22-23(31)29(20-10-6-4-8-18(20)25-22)12-11-21(30)28-15-13-27(14-16-28)19-9-5-3-7-17(19)24/h3-10H,11-16H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one?
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one has a molecular weight of 423.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one is sourced from PubChem (CID 91951087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).