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

C22H20IN3O2 — CID 137078302

IUPACN-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
SMILESCCc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C22H20IN3O2/c1-2-18-22(26-20(28)11-13-3-6-15(23)7-4-13)25-19-10-5-14-12-16(27)8-9-17(14)21(19)24-18/h3-4,6-9,12,27H,2,5,10-11H2,1H3,(H,25,26,28)
InChIKeyVNXQGHKILTVWEY-UHFFFAOYSA-N
MW485.33 g/mol
LogP4.30
Rot. Bonds4

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

N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide (PubChem CID 137078302) has the molecular formula C22H20IN3O2 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
PubChem CID137078302
Molecular FormulaC22H20IN3O2
Molecular Weight485.33 g/mol
Exact Mass485.06
IUPAC NameN-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
SMILESCCc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C22H20IN3O2/c1-2-18-22(26-20(28)11-13-3-6-15(23)7-4-13)25-19-10-5-14-12-16(27)8-9-17(14)21(19)24-18/h3-4,6-9,12,27H,2,5,10-11H2,1H3,(H,25,26,28)
InChIKeyVNXQGHKILTVWEY-UHFFFAOYSA-N
XLogP4.30
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
The IUPAC name of N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide (CID 137078302) is N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide.
What is the SMILES notation for N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
The canonical SMILES for N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide is CCc1nc2c(nc1NC(=O)Cc1ccc(I)cc1)CCc1cc(O)ccc1-2.
What is the InChIKey of N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
The InChIKey is VNXQGHKILTVWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20IN3O2/c1-2-18-22(26-20(28)11-13-3-6-15(23)7-4-13)25-19-10-5-14-12-16(27)8-9-17(14)21(19)24-18/h3-4,6-9,12,27H,2,5,10-11H2,1H3,(H,25,26,28).
What are the key properties of N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide?
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide has a molecular weight of 485.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 137078302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).