3-N-(2-methoxyethyl)quinoxaline-2,3-diamine

C11H14N4O — CID 102983552

IUPAC3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
SMILESCOCCNc1nc2ccccc2nc1N
InChIInChI=1S/C11H14N4O/c1-16-7-6-13-11-10(12)14-8-4-2-3-5-9(8)15-11/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyYNIKPHGDRZBEEW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.27
Rot. Bonds4

About 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine

3-N-(2-methoxyethyl)quinoxaline-2,3-diamine (PubChem CID 102983552) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
PubChem CID102983552
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
SMILESCOCCNc1nc2ccccc2nc1N
InChIInChI=1S/C11H14N4O/c1-16-7-6-13-11-10(12)14-8-4-2-3-5-9(8)15-11/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyYNIKPHGDRZBEEW-UHFFFAOYSA-N
XLogP1.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.27
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

Quinoxaline-2,3-diamine
CID 241488
6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
N-methylquinoxalin-2-amine
CID 351423
2-Methyl-3-(pyrrolidin-1-yl)quinoxaline
CID 238490
3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 11624425
2-[[3-(2-Hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
CID 2728525
2-Methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
CID 8070960
3-Piperazin-1-yl-quinoxaline-2-carbonitrile
CID 9837630
2,3-Quinoxalinediamine, N,N'-diphenyl-
CID 467789
3-(Pyrrolidin-1-yl)quinoxalin-2-amine
CID 2041326
2-Chloro-3-(morpholin-4-yl)quinoxaline
CID 240828
2-(3-Benzylquinoxalin-2-ylamino)ethanol
CID 44409443

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine (CID 102983552) is 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine is COCCNc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine?
The InChIKey is YNIKPHGDRZBEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-7-6-13-11-10(12)14-8-4-2-3-5-9(8)15-11/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine?
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine has a molecular weight of 218.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102983552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).