8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C16H24N2O — CID 115075679

IUPAC8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(C)(COc2cccc3c2NCCC3)C1
InChIInChI=1S/C16H24N2O/c1-16(8-10-18(2)11-16)12-19-14-7-3-5-13-6-4-9-17-15(13)14/h3,5,7,17H,4,6,8-12H2,1-2H3
InChIKeyLWDKTAXBJCCLJV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds3

About 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075679) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075679
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCC(C)(COc2cccc3c2NCCC3)C1
InChIInChI=1S/C16H24N2O/c1-16(8-10-18(2)11-16)12-19-14-7-3-5-13-6-4-9-17-15(13)14/h3,5,7,17H,4,6,8-12H2,1-2H3
InChIKeyLWDKTAXBJCCLJV-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075708
8-(1,3-dimethylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075729
5-[(1,4-dimethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075159
7-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074892
7-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074940
8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075614
8-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075706
3-(2,3-dihydro-1H-indol-7-yloxymethyl)-3-methylthiane 1,1-dioxide
CID 115074990
4-[(1,4-dimethylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074436
7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
8-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075588
8-[(5,5-dimethyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 116522225

Frequently Asked Questions

What is the IUPAC name of 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075679) is 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CN1CCC(C)(COc2cccc3c2NCCC3)C1.
What is the InChIKey of 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LWDKTAXBJCCLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(8-10-18(2)11-16)12-19-14-7-3-5-13-6-4-9-17-15(13)14/h3,5,7,17H,4,6,8-12H2,1-2H3.
What are the key properties of 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 260.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).