6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline

C20H26N2O — CID 94763730

IUPAC6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1cc2c(cc1C)N(CCCCOc1ccccc1)CCN2
InChIInChI=1S/C20H26N2O/c1-16-14-19-20(15-17(16)2)22(12-10-21-19)11-6-7-13-23-18-8-4-3-5-9-18/h3-5,8-9,14-15,21H,6-7,10-13H2,1-2H3
InChIKeyGVCWKOOZWUFMKR-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.39
Rot. Bonds6

About 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline

6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 94763730) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline
PubChem CID94763730
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1cc2c(cc1C)N(CCCCOc1ccccc1)CCN2
InChIInChI=1S/C20H26N2O/c1-16-14-19-20(15-17(16)2)22(12-10-21-19)11-6-7-13-23-18-8-4-3-5-9-18/h3-5,8-9,14-15,21H,6-7,10-13H2,1-2H3
InChIKeyGVCWKOOZWUFMKR-UHFFFAOYSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-6,7-dimethyl-2,3-dihydro-1H-quinoxaline
CID 82156538
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
7-phenyl-1-(4-trimethylsilylbutyl)-3,4-dihydro-2H-quinoxalin-6-ol
CID 69351004
6,7-dimethoxy-4-(2-methoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 83002078
6,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-3,4-dihydroquinoxalin-2-one
CID 82157387
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
CID 83212872
4-(6-cyano-3,4-dihydro-2H-quinoxalin-1-yl)butanoic acid
CID 117031643
3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole
CID 67648219
1-(3-phenoxypropyl)piperazine
CID 2760351
4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 103180257

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline (CID 94763730) is 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline is Cc1cc2c(cc1C)N(CCCCOc1ccccc1)CCN2.
What is the InChIKey of 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is GVCWKOOZWUFMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-14-19-20(15-17(16)2)22(12-10-21-19)11-6-7-13-23-18-8-4-3-5-9-18/h3-5,8-9,14-15,21H,6-7,10-13H2,1-2H3.
What are the key properties of 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline?
6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 310.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 94763730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).