2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine

C16H19N5 — CID 79753140

IUPAC2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
SMILESCCCn1ccnc1CC(N)c1ccc2nccnc2c1
InChIInChI=1S/C16H19N5/c1-2-8-21-9-7-20-16(21)11-13(17)12-3-4-14-15(10-12)19-6-5-18-14/h3-7,9-10,13H,2,8,11,17H2,1H3
InChIKeyZUABPXUJHBFMQJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.48
Rot. Bonds5

About 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine

2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine (PubChem CID 79753140) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine.

Molecular Properties

Compound Name2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
PubChem CID79753140
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
SMILESCCCn1ccnc1CC(N)c1ccc2nccnc2c1
InChIInChI=1S/C16H19N5/c1-2-8-21-9-7-20-16(21)11-13(17)12-3-4-14-15(10-12)19-6-5-18-14/h3-7,9-10,13H,2,8,11,17H2,1H3
InChIKeyZUABPXUJHBFMQJ-UHFFFAOYSA-N
XLogP2.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanol
CID 79752733
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(3-methoxy-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012377
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012264
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167670
2-methoxy-1-quinoxalin-6-ylethanamine
CID 79015926

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine?
The IUPAC name of 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine (CID 79753140) is 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine.
What is the SMILES notation for 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine?
The canonical SMILES for 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine is CCCn1ccnc1CC(N)c1ccc2nccnc2c1.
What is the InChIKey of 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine?
The InChIKey is ZUABPXUJHBFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-8-21-9-7-20-16(21)11-13(17)12-3-4-14-15(10-12)19-6-5-18-14/h3-7,9-10,13H,2,8,11,17H2,1H3.
What are the key properties of 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine?
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine is sourced from PubChem (CID 79753140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).