2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline

C16H20N2 — CID 170707754

IUPAC2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
SMILESCc1ccc2cc(CN3CCC(C)C3)ccc2n1
InChIInChI=1S/C16H20N2/c1-12-7-8-18(10-12)11-14-4-6-16-15(9-14)5-3-13(2)17-16/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyRCFLEIKBKCPYTF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.39
Rot. Bonds2

About 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline

2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline (PubChem CID 170707754) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
PubChem CID170707754
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
SMILESCc1ccc2cc(CN3CCC(C)C3)ccc2n1
InChIInChI=1S/C16H20N2/c1-12-7-8-18(10-12)11-14-4-6-16-15(9-14)5-3-13(2)17-16/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyRCFLEIKBKCPYTF-UHFFFAOYSA-N
XLogP3.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline?
The IUPAC name of 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline (CID 170707754) is 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline?
The canonical SMILES for 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline is Cc1ccc2cc(CN3CCC(C)C3)ccc2n1.
What is the InChIKey of 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline?
The InChIKey is RCFLEIKBKCPYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-7-8-18(10-12)11-14-4-6-16-15(9-14)5-3-13(2)17-16/h3-6,9,12H,7-8,10-11H2,1-2H3.
What are the key properties of 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline?
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline is sourced from PubChem (CID 170707754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).