[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

C22H28N4O — CID 133438479

IUPAC[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCCc1c(C)nc2ccccc2c1N1CCCC(C(O)c2nccn2C)C1
InChIInChI=1S/C22H28N4O/c1-4-17-15(2)24-19-10-6-5-9-18(19)20(17)26-12-7-8-16(14-26)21(27)22-23-11-13-25(22)3/h5-6,9-11,13,16,21,27H,4,7-8,12,14H2,1-3H3
InChIKeyNQUAPTGZMOWLLB-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.79
Rot. Bonds4

About [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133438479) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133438479
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCCc1c(C)nc2ccccc2c1N1CCCC(C(O)c2nccn2C)C1
InChIInChI=1S/C22H28N4O/c1-4-17-15(2)24-19-10-6-5-9-18(19)20(17)26-12-7-8-16(14-26)21(27)22-23-11-13-25(22)3/h5-6,9-11,13,16,21,27H,4,7-8,12,14H2,1-3H3
InChIKeyNQUAPTGZMOWLLB-UHFFFAOYSA-N
XLogP3.79
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]cinnoline-3-carboxylate
CID 133384542
3-ethyl-2-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline
CID 133437612
(S)-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 125135401
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 124739600
[1-(1-chloroisoquinolin-3-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384424
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97115224
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
CID 133384624
ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133384480
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (CID 133438479) is [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is CCc1c(C)nc2ccccc2c1N1CCCC(C(O)c2nccn2C)C1.
What is the InChIKey of [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is NQUAPTGZMOWLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-17-15(2)24-19-10-6-5-9-18(19)20(17)26-12-7-8-16(14-26)21(27)22-23-11-13-25(22)3/h5-6,9-11,13,16,21,27H,4,7-8,12,14H2,1-3H3.
What are the key properties of [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 364.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133438479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).