N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide

C22H19N3O2 — CID 70662806

IUPACN-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide
SMILESCOc1ccc2c(ccc3nc(NC(C)=O)c(Cc4ccccc4)nc32)c1
InChIInChI=1S/C22H19N3O2/c1-14(26)23-22-20(12-15-6-4-3-5-7-15)24-21-18-10-9-17(27-2)13-16(18)8-11-19(21)25-22/h3-11,13H,12H2,1-2H3,(H,23,25,26)
InChIKeySOSRHPTUGBPPAE-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.34
Rot. Bonds4

About N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide

N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 70662806) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide
PubChem CID70662806
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide
SMILESCOc1ccc2c(ccc3nc(NC(C)=O)c(Cc4ccccc4)nc32)c1
InChIInChI=1S/C22H19N3O2/c1-14(26)23-22-20(12-15-6-4-3-5-7-15)24-21-18-10-9-17(27-2)13-16(18)8-11-19(21)25-22/h3-11,13H,12H2,1-2H3,(H,23,25,26)
InChIKeySOSRHPTUGBPPAE-UHFFFAOYSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide
CID 118731256
1,3-dibenzyl-7-methoxyisoquinoline
CID 141360236
N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide
CID 138978300
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
N-(3-benzyl-5-phenylpyrazin-2-yl)acetamide
CID 10851965
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
ethane;N-[5-(6-methoxynaphthalen-1-yl)-1H-imidazol-2-yl]acetamide
CID 142853852
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
methyl 2-benzyl-5-methoxy-9,11,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene-13-carboxylate
CID 102499214
(2S)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 41289521

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide (CID 70662806) is N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide is COc1ccc2c(ccc3nc(NC(C)=O)c(Cc4ccccc4)nc32)c1.
What is the InChIKey of N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is SOSRHPTUGBPPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14(26)23-22-20(12-15-6-4-3-5-7-15)24-21-18-10-9-17(27-2)13-16(18)8-11-19(21)25-22/h3-11,13H,12H2,1-2H3,(H,23,25,26).
What are the key properties of N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide?
N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 70662806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).