N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide

C22H19FIN3O — CID 70830070

IUPACN-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
SMILESCCc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(F)ccc1-2
InChIInChI=1S/C22H19FIN3O/c1-2-18-22(27-20(28)11-13-3-7-16(24)8-4-13)26-19-10-5-14-12-15(23)6-9-17(14)21(19)25-18/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,26,27,28)
InChIKeyMWXYTHHJOXRFBF-UHFFFAOYSA-N
MW487.32 g/mol
LogP4.73
Rot. Bonds4

About N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide

N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide (PubChem CID 70830070) has the molecular formula C22H19FIN3O and a molecular weight of 487.32 g/mol. Its IUPAC name is N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
PubChem CID70830070
Molecular FormulaC22H19FIN3O
Molecular Weight487.32 g/mol
Exact Mass487.06
IUPAC NameN-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
SMILESCCc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(F)ccc1-2
InChIInChI=1S/C22H19FIN3O/c1-2-18-22(27-20(28)11-13-3-7-16(24)8-4-13)26-19-10-5-14-12-15(23)6-9-17(14)21(19)25-18/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,26,27,28)
InChIKeyMWXYTHHJOXRFBF-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
The IUPAC name of N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide (CID 70830070) is N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide.
What is the SMILES notation for N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
The canonical SMILES for N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide is CCc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(F)ccc1-2.
What is the InChIKey of N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
The InChIKey is MWXYTHHJOXRFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FIN3O/c1-2-18-22(27-20(28)11-13-3-7-16(24)8-4-13)26-19-10-5-14-12-15(23)6-9-17(14)21(19)25-18/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,26,27,28).
What are the key properties of N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide has a molecular weight of 487.32 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 70830070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).