N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide

C22H26N4O2 — CID 158191374

IUPACN-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide
SMILESCC(=O)CCCCCC(NC(C)=O)C1=NC(c2cnc3ccccc3n2)=CC1
InChIInChI=1S/C22H26N4O2/c1-15(27)8-4-3-5-10-19(24-16(2)28)20-12-13-21(25-20)22-14-23-17-9-6-7-11-18(17)26-22/h6-7,9,11,13-14,19H,3-5,8,10,12H2,1-2H3,(H,24,28)
InChIKeyVGDKCNRJNLJWRN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.86
Rot. Bonds9

About N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide

N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide (PubChem CID 158191374) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide.

Molecular Properties

Compound NameN-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide
PubChem CID158191374
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide
SMILESCC(=O)CCCCCC(NC(C)=O)C1=NC(c2cnc3ccccc3n2)=CC1
InChIInChI=1S/C22H26N4O2/c1-15(27)8-4-3-5-10-19(24-16(2)28)20-12-13-21(25-20)22-14-23-17-9-6-7-11-18(17)26-22/h6-7,9,11,13-14,19H,3-5,8,10,12H2,1-2H3,(H,24,28)
InChIKeyVGDKCNRJNLJWRN-UHFFFAOYSA-N
XLogP3.86
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide with MolForge

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Related Compounds

(2S)-8-oxo-2-[3-(piperidin-1-yl)propanamido]-N-(quinolin-3-yl)nonanamide
CID 25023792
N-cyclopentylquinoxaline-2-carboxamide
CID 3432949
N-cyclohexylquinoxaline-2-carboxamide
CID 7678291
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
(E)-N-cycloheptyl-3-quinoxalin-2-ylprop-2-enamide
CID 5797485
N-Propylquinoxaline-2-carboxamide
CID 25646901
N-butylquinoxaline-2-carboxamide
CID 36710965
(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 44182258
N-methyl-2-oxo-N'-quinolin-3-ylnonanediamide
CID 44341149
(2S)-8-oxo-2-(3-piperidin-1-ylpropanoylamino)-N-quinolin-3-ylnonanamide;dihydrochloride
CID 49861283
N-quinolin-8-yl-N'-sulfanylheptanediamide
CID 53317827
N-[6-(2-aminoanilino)-6-oxohexyl]quinoxaline-2-carboxamide
CID 60207645

Frequently Asked Questions

What is the IUPAC name of N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide?
The IUPAC name of N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide (CID 158191374) is N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide.
What is the SMILES notation for N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide?
The canonical SMILES for N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide is CC(=O)CCCCCC(NC(C)=O)C1=NC(c2cnc3ccccc3n2)=CC1.
What is the InChIKey of N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide?
The InChIKey is VGDKCNRJNLJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(27)8-4-3-5-10-19(24-16(2)28)20-12-13-21(25-20)22-14-23-17-9-6-7-11-18(17)26-22/h6-7,9,11,13-14,19H,3-5,8,10,12H2,1-2H3,(H,24,28).
What are the key properties of N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide?
N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-oxo-1-(5-quinoxalin-2-yl-3H-pyrrol-2-yl)octyl]acetamide is sourced from PubChem (CID 158191374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).