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

C16H24N2 — CID 63716022

IUPAC2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCC1CNCC1CN1c2ccccc2CCC1C
InChIInChI=1S/C16H24N2/c1-12-9-17-10-15(12)11-18-13(2)7-8-14-5-3-4-6-16(14)18/h3-6,12-13,15,17H,7-11H2,1-2H3
InChIKeyLQLOYZDJBZCIAF-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.68
Rot. Bonds2

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

2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 63716022) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID63716022
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCC1CNCC1CN1c2ccccc2CCC1C
InChIInChI=1S/C16H24N2/c1-12-9-17-10-15(12)11-18-13(2)7-8-14-5-3-4-6-16(14)18/h3-6,12-13,15,17H,7-11H2,1-2H3
InChIKeyLQLOYZDJBZCIAF-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline (CID 63716022) is 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline is CC1CNCC1CN1c2ccccc2CCC1C.
What is the InChIKey of 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is LQLOYZDJBZCIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-9-17-10-15(12)11-18-13(2)7-8-14-5-3-4-6-16(14)18/h3-6,12-13,15,17H,7-11H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline?
2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 244.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63716022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).