3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one

C20H19FN4O2 — CID 46364996

IUPAC3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)nc2ccccc21
InChIInChI=1S/C20H19FN4O2/c1-23-17-9-5-3-7-15(17)22-18(19(23)26)20(27)25-12-10-24(11-13-25)16-8-4-2-6-14(16)21/h2-9H,10-13H2,1H3
InChIKeyAUGJAWYDXGTZQB-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.04
Rot. Bonds2

About 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one (PubChem CID 46364996) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one
PubChem CID46364996
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)nc2ccccc21
InChIInChI=1S/C20H19FN4O2/c1-23-17-9-5-3-7-15(17)22-18(19(23)26)20(27)25-12-10-24(11-13-25)16-8-4-2-6-14(16)21/h2-9H,10-13H2,1H3
InChIKeyAUGJAWYDXGTZQB-UHFFFAOYSA-N
XLogP2.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one (CID 46364996) is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one is Cn1c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one?
The InChIKey is AUGJAWYDXGTZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-23-17-9-5-3-7-15(17)22-18(19(23)26)20(27)25-12-10-24(11-13-25)16-8-4-2-6-14(16)21/h2-9H,10-13H2,1H3.
What are the key properties of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one?
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one has a molecular weight of 366.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one is sourced from PubChem (CID 46364996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).