2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

C24H23F2N3O2 — CID 136625385

IUPAC2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(O)ccc1-2
InChIInChI=1S/C24H23F2N3O2/c1-13(2)9-21-24(29-22(31)11-14-3-7-18(25)19(26)10-14)28-20-8-4-15-12-16(30)5-6-17(15)23(20)27-21/h3,5-7,10,12-13,30H,4,8-9,11H2,1-2H3,(H,28,29,31)
InChIKeyQKOVTFNASTWINH-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.61
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 136625385) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
PubChem CID136625385
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(O)ccc1-2
InChIInChI=1S/C24H23F2N3O2/c1-13(2)9-21-24(29-22(31)11-14-3-7-18(25)19(26)10-14)28-20-8-4-15-12-16(30)5-6-17(15)23(20)27-21/h3,5-7,10,12-13,30H,4,8-9,11H2,1-2H3,(H,28,29,31)
InChIKeyQKOVTFNASTWINH-UHFFFAOYSA-N
XLogP4.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide 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 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 136625385) is 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is CC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(O)ccc1-2.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The InChIKey is QKOVTFNASTWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-13(2)9-21-24(29-22(31)11-14-3-7-18(25)19(26)10-14)28-20-8-4-15-12-16(30)5-6-17(15)23(20)27-21/h3,5-7,10,12-13,30H,4,8-9,11H2,1-2H3,(H,28,29,31).
What are the key properties of 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 423.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 136625385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).