8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline

C22H28N4O — CID 131921149

IUPAC8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
SMILESCOc1cccc2ccc(CN3CCCCC3CCn3ccnc3C)nc12
InChIInChI=1S/C22H28N4O/c1-17-23-12-15-25(17)14-11-20-7-3-4-13-26(20)16-19-10-9-18-6-5-8-21(27-2)22(18)24-19/h5-6,8-10,12,15,20H,3-4,7,11,13-14,16H2,1-2H3
InChIKeyQXSKLCYQPOHLBS-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.19
Rot. Bonds6

About 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline

8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline (PubChem CID 131921149) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
PubChem CID131921149
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
SMILESCOc1cccc2ccc(CN3CCCCC3CCn3ccnc3C)nc12
InChIInChI=1S/C22H28N4O/c1-17-23-12-15-25(17)14-11-20-7-3-4-13-26(20)16-19-10-9-18-6-5-8-21(27-2)22(18)24-19/h5-6,8-10,12,15,20H,3-4,7,11,13-14,16H2,1-2H3
InChIKeyQXSKLCYQPOHLBS-UHFFFAOYSA-N
XLogP4.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]acetamide
CID 91832346
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791
(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122563198
8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 74246375
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 70728855
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70712419
3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 70772970
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 131896236
8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
CID 92613141
N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106024171
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline?
The IUPAC name of 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline (CID 131921149) is 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline is COc1cccc2ccc(CN3CCCCC3CCn3ccnc3C)nc12.
What is the InChIKey of 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline?
The InChIKey is QXSKLCYQPOHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-23-12-15-25(17)14-11-20-7-3-4-13-26(20)16-19-10-9-18-6-5-8-21(27-2)22(18)24-19/h5-6,8-10,12,15,20H,3-4,7,11,13-14,16H2,1-2H3.
What are the key properties of 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline?
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline has a molecular weight of 364.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 131921149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).