6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C15H22N2O — CID 115075329

IUPAC6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(COc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C15H22N2O/c1-17-8-6-12(10-17)11-18-14-4-5-15-13(9-14)3-2-7-16-15/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3
InChIKeyPCJRCFQCYRPZJR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.38
Rot. Bonds3

About 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075329) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075329
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(COc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C15H22N2O/c1-17-8-6-12(10-17)11-18-14-4-5-15-13(9-14)3-2-7-16-15/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3
InChIKeyPCJRCFQCYRPZJR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075338
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074635
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215098
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
7-(1-methylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075407
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
6-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075243

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075329) is 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CN1CCC(COc2ccc3c(c2)CCCN3)C1.
What is the InChIKey of 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is PCJRCFQCYRPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-8-6-12(10-17)11-18-14-4-5-15-13(9-14)3-2-7-16-15/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3.
What are the key properties of 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
6-[(1-methylpyrrolidin-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 6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).