N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide

C21H19N3O2 — CID 136625045

IUPACN-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccccc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C21H19N3O2/c1-13-21(24-19(26)11-14-5-3-2-4-6-14)23-18-10-7-15-12-16(25)8-9-17(15)20(18)22-13/h2-6,8-9,12,25H,7,10-11H2,1H3,(H,23,24,26)
InChIKeyDGKAKSJXEWUDKL-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.44
Rot. Bonds3

About N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide

N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide (PubChem CID 136625045) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
PubChem CID136625045
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccccc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C21H19N3O2/c1-13-21(24-19(26)11-14-5-3-2-4-6-14)23-18-10-7-15-12-16(25)8-9-17(15)20(18)22-13/h2-6,8-9,12,25H,7,10-11H2,1H3,(H,23,24,26)
InChIKeyDGKAKSJXEWUDKL-UHFFFAOYSA-N
XLogP3.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 137030979
N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 89009367
N-(8-fluoro-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
CID 70830271
2-(4-hydroxyphenyl)-N-(2-methyl-8-nitroso-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 143000495
ethane;2-(4-fluorophenyl)-N-(8-hydroxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
CID 143000542
ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide
CID 143000993
N-[8-amino-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide
CID 136625501
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
CID 136625034
N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
CID 136625019
2-(4-chlorophenyl)-N-[8-hydroxy-2-[hydroxy(phenyl)methyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625361
N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625036
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-iodophenyl)acetamide
CID 137078302

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
The IUPAC name of N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide (CID 136625045) is N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide is Cc1nc2c(nc1NC(=O)Cc1ccccc1)CCc1cc(O)ccc1-2.
What is the InChIKey of N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
The InChIKey is DGKAKSJXEWUDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-21(24-19(26)11-14-5-3-2-4-6-14)23-18-10-7-15-12-16(25)8-9-17(15)20(18)22-13/h2-6,8-9,12,25H,7,10-11H2,1H3,(H,23,24,26).
What are the key properties of N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide has a molecular weight of 345.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 136625045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).