[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone

C22H22N2O2 — CID 70712754

IUPAC[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-14-7-6-8-15(2)21(14)26-17-12-24(13-17)22(25)19-11-16(3)23-20-10-5-4-9-18(19)20/h4-11,17H,12-13H2,1-3H3
InChIKeyJQXANPPAIKAQEK-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.06
Rot. Bonds3

About [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone

[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 70712754) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID70712754
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-14-7-6-8-15(2)21(14)26-17-12-24(13-17)22(25)19-11-16(3)23-20-10-5-4-9-18(19)20/h4-11,17H,12-13H2,1-3H3
InChIKeyJQXANPPAIKAQEK-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 131930553
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119664011
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 42522862

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 70712754) is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c2ccccc2n1.
What is the InChIKey of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is JQXANPPAIKAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-14-7-6-8-15(2)21(14)26-17-12-24(13-17)22(25)19-11-16(3)23-20-10-5-4-9-18(19)20/h4-11,17H,12-13H2,1-3H3.
What are the key properties of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 70712754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).