2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine

C17H20N4 — CID 114755024

IUPAC2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-3-21-9-8-19-17(21)11-14(18)16-10-12(2)13-6-4-5-7-15(13)20-16/h4-10,14H,3,11,18H2,1-2H3
InChIKeyKMETVNXLUVWSNZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.00
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine

2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine (PubChem CID 114755024) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine
PubChem CID114755024
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-3-21-9-8-19-17(21)11-14(18)16-10-12(2)13-6-4-5-7-15(13)20-16/h4-10,14H,3,11,18H2,1-2H3
InChIKeyKMETVNXLUVWSNZ-UHFFFAOYSA-N
XLogP3.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357294
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
1-(2,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009189
2-(1-ethylimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105165882
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964
1-(3,5-dimethyl-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 113365596
1-(4-methylquinolin-2-yl)pent-3-yn-1-amine
CID 114755048
1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 79752940
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
1-(4-methylquinolin-2-yl)pent-4-en-1-amine
CID 114755015

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine (CID 114755024) is 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine is CCn1ccnc1CC(N)c1cc(C)c2ccccc2n1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine?
The InChIKey is KMETVNXLUVWSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-21-9-8-19-17(21)11-14(18)16-10-12(2)13-6-4-5-7-15(13)20-16/h4-10,14H,3,11,18H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine?
2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(4-methylquinolin-2-yl)ethanamine is sourced from PubChem (CID 114755024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).