N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide

C26H26N4O2 — CID 143001082

IUPACN-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
SMILESO=Nc1ccc2c(c1)CCc1nc(NC(=O)c3ccccc3)c(CC3CCCCC3)nc1-2
InChIInChI=1S/C26H26N4O2/c31-26(18-9-5-2-6-10-18)29-25-23(15-17-7-3-1-4-8-17)27-24-21-13-12-20(30-32)16-19(21)11-14-22(24)28-25/h2,5-6,9-10,12-13,16-17H,1,3-4,7-8,11,14-15H2,(H,28,29,31)
InChIKeyYBJYDRQMXRRAFW-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.02
Rot. Bonds5

About N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide

N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide (PubChem CID 143001082) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
PubChem CID143001082
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
SMILESO=Nc1ccc2c(c1)CCc1nc(NC(=O)c3ccccc3)c(CC3CCCCC3)nc1-2
InChIInChI=1S/C26H26N4O2/c31-26(18-9-5-2-6-10-18)29-25-23(15-17-7-3-1-4-8-17)27-24-21-13-12-20(30-32)16-19(21)11-14-22(24)28-25/h2,5-6,9-10,12-13,16-17H,1,3-4,7-8,11,14-15H2,(H,28,29,31)
InChIKeyYBJYDRQMXRRAFW-UHFFFAOYSA-N
XLogP6.02
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 ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
The IUPAC name of N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide (CID 143001082) is N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide.
What is the SMILES notation for N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
The canonical SMILES for N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide is O=Nc1ccc2c(c1)CCc1nc(NC(=O)c3ccccc3)c(CC3CCCCC3)nc1-2.
What is the InChIKey of N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
The InChIKey is YBJYDRQMXRRAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(18-9-5-2-6-10-18)29-25-23(15-17-7-3-1-4-8-17)27-24-21-13-12-20(30-32)16-19(21)11-14-22(24)28-25/h2,5-6,9-10,12-13,16-17H,1,3-4,7-8,11,14-15H2,(H,28,29,31).
What are the key properties of N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide?
N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethyl)-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide is sourced from PubChem (CID 143001082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).