1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline

C16H24N2O — CID 63534433

IUPAC1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOC1CNC(CN2CC(C)Cc3ccccc32)C1
InChIInChI=1S/C16H24N2O/c1-12-7-13-5-3-4-6-16(13)18(10-12)11-14-8-15(19-2)9-17-14/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyQULKLIHHZMWLBC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.06
Rot. Bonds3

About 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline

1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 63534433) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID63534433
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOC1CNC(CN2CC(C)Cc3ccccc32)C1
InChIInChI=1S/C16H24N2O/c1-12-7-13-5-3-4-6-16(13)18(10-12)11-14-8-15(19-2)9-17-14/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyQULKLIHHZMWLBC-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline (CID 63534433) is 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline is COC1CNC(CN2CC(C)Cc3ccccc32)C1.
What is the InChIKey of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QULKLIHHZMWLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-7-13-5-3-4-6-16(13)18(10-12)11-14-8-15(19-2)9-17-14/h3-6,12,14-15,17H,7-11H2,1-2H3.
What are the key properties of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 260.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63534433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).