2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

C26H26N4O2 — CID 143000231

IUPAC2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESO=Nc1ccc2c(c1)CCc1nc(NC(=O)CC3CCCCC3)c(-c3ccccc3)nc1-2
InChIInChI=1S/C26H26N4O2/c31-23(15-17-7-3-1-4-8-17)28-26-24(18-9-5-2-6-10-18)29-25-21-13-12-20(30-32)16-19(21)11-14-22(25)27-26/h2,5-6,9-10,12-13,16-17H,1,3-4,7-8,11,14-15H2,(H,27,28,31)
InChIKeyLYISIMVVXXUCPX-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.22
Rot. Bonds5

About 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 143000231) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
PubChem CID143000231
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESO=Nc1ccc2c(c1)CCc1nc(NC(=O)CC3CCCCC3)c(-c3ccccc3)nc1-2
InChIInChI=1S/C26H26N4O2/c31-23(15-17-7-3-1-4-8-17)28-26-24(18-9-5-2-6-10-18)29-25-21-13-12-20(30-32)16-19(21)11-14-22(25)27-26/h2,5-6,9-10,12-13,16-17H,1,3-4,7-8,11,14-15H2,(H,27,28,31)
InChIKeyLYISIMVVXXUCPX-UHFFFAOYSA-N
XLogP6.22
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (CID 143000231) is 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is O=Nc1ccc2c(c1)CCc1nc(NC(=O)CC3CCCCC3)c(-c3ccccc3)nc1-2.
What is the InChIKey of 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is LYISIMVVXXUCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-23(15-17-7-3-1-4-8-17)28-26-24(18-9-5-2-6-10-18)29-25-21-13-12-20(30-32)16-19(21)11-14-22(25)27-26/h2,5-6,9-10,12-13,16-17H,1,3-4,7-8,11,14-15H2,(H,27,28,31).
What are the key properties of 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(8-nitroso-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 143000231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).