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

C24H24FN3O — CID 70830114

IUPAC2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)cc1)CCc1ccccc1-2
InChIInChI=1S/C24H24FN3O/c1-15(2)13-21-24(28-22(29)14-16-7-10-18(25)11-8-16)27-20-12-9-17-5-3-4-6-19(17)23(20)26-21/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,27,28,29)
InChIKeyGGBNEQFAAGAXHK-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.76
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 70830114) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
PubChem CID70830114
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)cc1)CCc1ccccc1-2
InChIInChI=1S/C24H24FN3O/c1-15(2)13-21-24(28-22(29)14-16-7-10-18(25)11-8-16)27-20-12-9-17-5-3-4-6-19(17)23(20)26-21/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,27,28,29)
InChIKeyGGBNEQFAAGAXHK-UHFFFAOYSA-N
XLogP4.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 70830114) is 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is CC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)cc1)CCc1ccccc1-2.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
The InChIKey is GGBNEQFAAGAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-15(2)13-21-24(28-22(29)14-16-7-10-18(25)11-8-16)27-20-12-9-17-5-3-4-6-19(17)23(20)26-21/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,27,28,29).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?
2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 389.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 70830114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).