7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline

C14H20N2O — CID 115075407

IUPAC7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(Oc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C14H20N2O/c1-16-8-6-13(10-16)17-12-5-4-11-3-2-7-15-14(11)9-12/h4-5,9,13,15H,2-3,6-8,10H2,1H3
InChIKeyLXXFTVXRFWZFRP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds2

About 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline

7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 115075407) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID115075407
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(Oc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C14H20N2O/c1-16-8-6-13(10-16)17-12-5-4-11-3-2-7-15-14(11)9-12/h4-5,9,13,15H,2-3,6-8,10H2,1H3
InChIKeyLXXFTVXRFWZFRP-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076497
7-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075422
7-(oxolan-3-yloxy)-1,2,3,4-tetrahydroquinoline
CID 115075402
7-(3,3-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075527
N-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81214759
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
7-(1-methylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076511
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
CID 140799111
CID 140799111
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
6-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074762
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline (CID 115075407) is 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline is CN1CCC(Oc2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is LXXFTVXRFWZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-8-6-13(10-16)17-12-5-4-11-3-2-7-15-14(11)9-12/h4-5,9,13,15H,2-3,6-8,10H2,1H3.
What are the key properties of 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 232.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).