N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide

C22H22N4O — CID 55437340

IUPACN-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCCn3ccc4ccccc43)cc2nc1C
InChIInChI=1S/C22H22N4O/c1-15-16(2)25-20-14-18(8-9-19(20)24-15)22(27)23-11-5-12-26-13-10-17-6-3-4-7-21(17)26/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H,23,27)
InChIKeyGOGQKXLHWIKRIH-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.02
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide

N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 55437340) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID55437340
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCCn3ccc4ccccc43)cc2nc1C
InChIInChI=1S/C22H22N4O/c1-15-16(2)25-20-14-18(8-9-19(20)24-15)22(27)23-11-5-12-26-13-10-17-6-3-4-7-21(17)26/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H,23,27)
InChIKeyGOGQKXLHWIKRIH-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
CID 51165309
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 17495544
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24607685
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide (CID 55437340) is N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCCn3ccc4ccccc43)cc2nc1C.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is GOGQKXLHWIKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-16(2)25-20-14-18(8-9-19(20)24-15)22(27)23-11-5-12-26-13-10-17-6-3-4-7-21(17)26/h3-4,6-10,13-14H,5,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55437340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).