2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline

C18H23N3O — CID 167445695

IUPAC2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline
SMILESCc1ccc2cc(CN3CCN(C4COC4)CC3)ccc2n1
InChIInChI=1S/C18H23N3O/c1-14-2-4-16-10-15(3-5-18(16)19-14)11-20-6-8-21(9-7-20)17-12-22-13-17/h2-5,10,17H,6-9,11-13H2,1H3
InChIKeyMDDGNJSYMUKYRI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline

2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline (PubChem CID 167445695) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline
PubChem CID167445695
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline
SMILESCc1ccc2cc(CN3CCN(C4COC4)CC3)ccc2n1
InChIInChI=1S/C18H23N3O/c1-14-2-4-16-10-15(3-5-18(16)19-14)11-20-6-8-21(9-7-20)17-12-22-13-17/h2-5,10,17H,6-9,11-13H2,1H3
InChIKeyMDDGNJSYMUKYRI-UHFFFAOYSA-N
XLogP2.06
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
CID 105379000
N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841570
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484
1-[(6-iodo-3-pyridinyl)methyl]-4-(oxetan-3-yl)piperazine
CID 134601362
4-[3-(2-methylquinolin-6-yl)propyl]morpholine
CID 170870051
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
CID 105379685
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
CID 99826047
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline (CID 167445695) is 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline is Cc1ccc2cc(CN3CCN(C4COC4)CC3)ccc2n1.
What is the InChIKey of 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline?
The InChIKey is MDDGNJSYMUKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-2-4-16-10-15(3-5-18(16)19-14)11-20-6-8-21(9-7-20)17-12-22-13-17/h2-5,10,17H,6-9,11-13H2,1H3.
What are the key properties of 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline?
2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline has a molecular weight of 297.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 167445695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).