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

C21H19N3O2 — CID 70830275

IUPACN-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCOc1ccc2c(c1)CCc1nc(NC(C)=O)c(-c3ccccc3)nc1-2
InChIInChI=1S/C21H19N3O2/c1-13(25)22-21-19(14-6-4-3-5-7-14)24-20-17-10-9-16(26-2)12-15(17)8-11-18(20)23-21/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23,25)
InChIKeyXSQVFGXBJVGQFH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.88
Rot. Bonds3

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

N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 70830275) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound NameN-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
PubChem CID70830275
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCOc1ccc2c(c1)CCc1nc(NC(C)=O)c(-c3ccccc3)nc1-2
InChIInChI=1S/C21H19N3O2/c1-13(25)22-21-19(14-6-4-3-5-7-14)24-20-17-10-9-16(26-2)12-15(17)8-11-18(20)23-21/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23,25)
InChIKeyXSQVFGXBJVGQFH-UHFFFAOYSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (CID 70830275) is N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is COc1ccc2c(c1)CCc1nc(NC(C)=O)c(-c3ccccc3)nc1-2.
What is the InChIKey of N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is XSQVFGXBJVGQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13(25)22-21-19(14-6-4-3-5-7-14)24-20-17-10-9-16(26-2)12-15(17)8-11-18(20)23-21/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,23,25).
What are the key properties of N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-2-phenyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 70830275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).