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

C26H26BrN3O2 — CID 136625158

IUPAC2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1C1CCCCC1)-c1ccc(O)cc1CC2
InChIInChI=1S/C26H26BrN3O2/c27-19-9-6-16(7-10-19)14-23(32)29-26-24(17-4-2-1-3-5-17)30-25-21-12-11-20(31)15-18(21)8-13-22(25)28-26/h6-7,9-12,15,17,31H,1-5,8,13-14H2,(H,28,29,32)
InChIKeyIOYZLIBQTKUTIH-UHFFFAOYSA-N
MW492.42 g/mol
LogP5.94
Rot. Bonds4

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

2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 136625158) has the molecular formula C26H26BrN3O2 and a molecular weight of 492.42 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
PubChem CID136625158
Molecular FormulaC26H26BrN3O2
Molecular Weight492.42 g/mol
Exact Mass491.12
IUPAC Name2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1C1CCCCC1)-c1ccc(O)cc1CC2
InChIInChI=1S/C26H26BrN3O2/c27-19-9-6-16(7-10-19)14-23(32)29-26-24(17-4-2-1-3-5-17)30-25-21-12-11-20(31)15-18(21)8-13-22(25)28-26/h6-7,9-12,15,17,31H,1-5,8,13-14H2,(H,28,29,32)
InChIKeyIOYZLIBQTKUTIH-UHFFFAOYSA-N
XLogP5.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.42
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (CID 136625158) is 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc2c(nc1C1CCCCC1)-c1ccc(O)cc1CC2.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is IOYZLIBQTKUTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O2/c27-19-9-6-16(7-10-19)14-23(32)29-26-24(17-4-2-1-3-5-17)30-25-21-12-11-20(31)15-18(21)8-13-22(25)28-26/h6-7,9-12,15,17,31H,1-5,8,13-14H2,(H,28,29,32).
What are the key properties of 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 492.42 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-cyclohexyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 136625158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).