2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine

C17H26N4O — CID 118726546

IUPAC2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine
SMILESCCCCNc1nc2ccc(OC)cc2nc1NCCCC
InChIInChI=1S/C17H26N4O/c1-4-6-10-18-16-17(19-11-7-5-2)21-15-12-13(22-3)8-9-14(15)20-16/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYKOOGIBXHOWMGN-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.06
Rot. Bonds9

About 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine

2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine (PubChem CID 118726546) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine
PubChem CID118726546
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine
SMILESCCCCNc1nc2ccc(OC)cc2nc1NCCCC
InChIInChI=1S/C17H26N4O/c1-4-6-10-18-16-17(19-11-7-5-2)21-15-12-13(22-3)8-9-14(15)20-16/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYKOOGIBXHOWMGN-UHFFFAOYSA-N
XLogP4.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599543
7-Methoxy-1,2,3,4-tetrahydrophenazine
CID 2812779
N6-(3,4-dimethoxyphenyl)-N6-methyl-pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476035
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
6-[(4-Methoxyanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457776
4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexanol
CID 9796455
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
1-Benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole
CID 10543852
2-[4-(3-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 11220975
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine (CID 118726546) is 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine is CCCCNc1nc2ccc(OC)cc2nc1NCCCC.
What is the InChIKey of 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine?
The InChIKey is YKOOGIBXHOWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-6-10-18-16-17(19-11-7-5-2)21-15-12-13(22-3)8-9-14(15)20-16/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine?
2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine has a molecular weight of 302.42 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dibutyl-6-methoxyquinoxaline-2,3-diamine is sourced from PubChem (CID 118726546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).