7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C15H22N2O — CID 115075463

IUPAC7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCN1CC(C)(COc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C15H22N2O/c1-15(9-17(2)10-15)11-18-13-6-5-12-4-3-7-16-14(12)8-13/h5-6,8,16H,3-4,7,9-11H2,1-2H3
InChIKeySSYYUELYNLMZDD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.38
Rot. Bonds3

About 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075463) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075463
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCN1CC(C)(COc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C15H22N2O/c1-15(9-17(2)10-15)11-18-13-6-5-12-4-3-7-16-14(12)8-13/h5-6,8,16H,3-4,7,9-11H2,1-2H3
InChIKeySSYYUELYNLMZDD-UHFFFAOYSA-N
XLogP2.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075542
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075288
6-[(4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074794
7-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075422
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
6-[(1-ethyl-3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074784
6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074777
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075339
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397

Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075463) is 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CN1CC(C)(COc2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is SSYYUELYNLMZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(9-17(2)10-15)11-18-13-6-5-12-4-3-7-16-14(12)8-13/h5-6,8,16H,3-4,7,9-11H2,1-2H3.
What are the key properties of 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 246.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).