N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide

C26H23N3O2 — CID 136625034

IUPACN-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
SMILESCCc1nc2c(nc1NC(=O)Cc1ccc3ccccc3c1)CCc1cc(O)ccc1-2
InChIInChI=1S/C26H23N3O2/c1-2-22-26(28-23-12-9-19-15-20(30)10-11-21(19)25(23)27-22)29-24(31)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-8,10-11,13,15,30H,2,9,12,14H2,1H3,(H,28,29,31)
InChIKeyCOVXPCJFGNMXLI-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.84
Rot. Bonds4

About N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide

N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide (PubChem CID 136625034) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
PubChem CID136625034
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
SMILESCCc1nc2c(nc1NC(=O)Cc1ccc3ccccc3c1)CCc1cc(O)ccc1-2
InChIInChI=1S/C26H23N3O2/c1-2-22-26(28-23-12-9-19-15-20(30)10-11-21(19)25(23)27-22)29-24(31)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-8,10-11,13,15,30H,2,9,12,14H2,1H3,(H,28,29,31)
InChIKeyCOVXPCJFGNMXLI-UHFFFAOYSA-N
XLogP4.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
CID 137078302
N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
CID 136625473
N-[8-fluoro-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
CID 136625052
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 136625045
2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625384
2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625385
N-(2-ethyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
CID 70830070
N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
CID 136625019
N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625036
ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 143000542
N-[2-ethyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]benzamide
CID 123953975
2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 137030979

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide (CID 136625034) is N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide is CCc1nc2c(nc1NC(=O)Cc1ccc3ccccc3c1)CCc1cc(O)ccc1-2.
What is the InChIKey of N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is COVXPCJFGNMXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-2-22-26(28-23-12-9-19-15-20(30)10-11-21(19)25(23)27-22)29-24(31)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-8,10-11,13,15,30H,2,9,12,14H2,1H3,(H,28,29,31).
What are the key properties of N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide?
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 409.49 g/mol, XLogP of 4.84, 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 136625034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).