7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C24H26N4O2 — CID 58575265

IUPAC7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCCCc1nnc2c(=O)[nH]c3cc(C(=O)CCCCCc4ccccc4)ccc3n12
InChIInChI=1S/C24H26N4O2/c1-2-9-22-26-27-23-24(30)25-19-16-18(14-15-20(19)28(22)23)21(29)13-8-4-7-12-17-10-5-3-6-11-17/h3,5-6,10-11,14-16H,2,4,7-9,12-13H2,1H3,(H,25,30)
InChIKeyMOIDBTJIQXCNTI-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.51
Rot. Bonds9

About 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 58575265) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID58575265
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCCCc1nnc2c(=O)[nH]c3cc(C(=O)CCCCCc4ccccc4)ccc3n12
InChIInChI=1S/C24H26N4O2/c1-2-9-22-26-27-23-24(30)25-19-16-18(14-15-20(19)28(22)23)21(29)13-8-4-7-12-17-10-5-3-6-11-17/h3,5-6,10-11,14-16H,2,4,7-9,12-13H2,1H3,(H,25,30)
InChIKeyMOIDBTJIQXCNTI-UHFFFAOYSA-N
XLogP4.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylic acid
CID 58575281
N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide
CID 70224878
7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575129
7-(5-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575379
1-(3-propylphenyl)heptan-1-one
CID 115812204
N-ethyl-6-phenylhexanamide
CID 70953257
5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
CID 11653229
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
1-(4-propylphenyl)decan-1-one
CID 65449493
3-[4-oxo-8-(4-phenylpiperazin-1-yl)-7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]propanoic acid
CID 19597303
3-butyl-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
CID 15401709
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167

Frequently Asked Questions

What is the IUPAC name of 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 58575265) is 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is CCCc1nnc2c(=O)[nH]c3cc(C(=O)CCCCCc4ccccc4)ccc3n12.
What is the InChIKey of 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is MOIDBTJIQXCNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-9-22-26-27-23-24(30)25-19-16-18(14-15-20(19)28(22)23)21(29)13-8-4-7-12-17-10-5-3-6-11-17/h3,5-6,10-11,14-16H,2,4,7-9,12-13H2,1H3,(H,25,30).
What are the key properties of 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 402.50 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 58575265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).