7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline

C23H25BrFN3O — CID 68845464

IUPAC7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
SMILESCN1CCC(COCCc2cc(Br)cc3nccnc23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25BrFN3O/c1-28-11-7-23(8-12-28,18-2-4-20(25)5-3-18)16-29-13-6-17-14-19(24)15-21-22(17)27-10-9-26-21/h2-5,9-10,14-15H,6-8,11-13,16H2,1H3
InChIKeyMMFJVKBRTXJHDI-UHFFFAOYSA-N
MW458.38 g/mol
LogP4.75
Rot. Bonds6

About 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline

7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline (PubChem CID 68845464) has the molecular formula C23H25BrFN3O and a molecular weight of 458.38 g/mol. Its IUPAC name is 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline.

Molecular Properties

Compound Name7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
PubChem CID68845464
Molecular FormulaC23H25BrFN3O
Molecular Weight458.38 g/mol
Exact Mass457.12
IUPAC Name7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline
SMILESCN1CCC(COCCc2cc(Br)cc3nccnc23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25BrFN3O/c1-28-11-7-23(8-12-28,18-2-4-20(25)5-3-18)16-29-13-6-17-14-19(24)15-21-22(17)27-10-9-26-21/h2-5,9-10,14-15H,6-8,11-13,16H2,1H3
InChIKeyMMFJVKBRTXJHDI-UHFFFAOYSA-N
XLogP4.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline 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 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
The IUPAC name of 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline (CID 68845464) is 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline.
What is the SMILES notation for 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
The canonical SMILES for 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline is CN1CCC(COCCc2cc(Br)cc3nccnc23)(c2ccc(F)cc2)CC1.
What is the InChIKey of 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
The InChIKey is MMFJVKBRTXJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrFN3O/c1-28-11-7-23(8-12-28,18-2-4-20(25)5-3-18)16-29-13-6-17-14-19(24)15-21-22(17)27-10-9-26-21/h2-5,9-10,14-15H,6-8,11-13,16H2,1H3.
What are the key properties of 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline?
7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline has a molecular weight of 458.38 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-[2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoxaline is sourced from PubChem (CID 68845464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).