N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide

C23H18N4O4 — CID 1303260

IUPACN-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H18N4O4/c1-15(28)24-19-7-3-2-6-18(19)22-23(26-21-9-5-4-8-20(21)25-22)31-14-16-10-12-17(13-11-16)27(29)30/h2-13H,14H2,1H3,(H,24,28)
InChIKeyJJYPJFHTWLOVRL-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.74
Rot. Bonds6

About N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide

N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide (PubChem CID 1303260) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide
PubChem CID1303260
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H18N4O4/c1-15(28)24-19-7-3-2-6-18(19)22-23(26-21-9-5-4-8-20(21)25-22)31-14-16-10-12-17(13-11-16)27(29)30/h2-13H,14H2,1H3,(H,24,28)
InChIKeyJJYPJFHTWLOVRL-UHFFFAOYSA-N
XLogP4.74
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 895335
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90626132
3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
CID 71469733
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1293093
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-nitrophenyl)acetamide
CID 121148862
N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide
CID 2216352
2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
CID 30728355
N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]methoxy]phenyl]acetamide
CID 1262392
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide (CID 1303260) is N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide?
The InChIKey is JJYPJFHTWLOVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-15(28)24-19-7-3-2-6-18(19)22-23(26-21-9-5-4-8-20(21)25-22)31-14-16-10-12-17(13-11-16)27(29)30/h2-13H,14H2,1H3,(H,24,28).
What are the key properties of N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide?
N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide has a molecular weight of 414.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide is sourced from PubChem (CID 1303260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).