5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile

C22H28N4 — CID 134237203

IUPAC5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile
SMILESCC1CC(c2ccc(C#N)c3ncccc23)CN(CC2CCN(C)C2)C1
InChIInChI=1S/C22H28N4/c1-16-10-19(15-26(12-16)14-17-7-9-25(2)13-17)20-6-5-18(11-23)22-21(20)4-3-8-24-22/h3-6,8,16-17,19H,7,9-10,12-15H2,1-2H3
InChIKeyFDVMJVKEBUYLKY-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.48
Rot. Bonds3

About 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile

5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile (PubChem CID 134237203) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile
PubChem CID134237203
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile
SMILESCC1CC(c2ccc(C#N)c3ncccc23)CN(CC2CCN(C)C2)C1
InChIInChI=1S/C22H28N4/c1-16-10-19(15-26(12-16)14-17-7-9-25(2)13-17)20-6-5-18(11-23)22-21(20)4-3-8-24-22/h3-6,8,16-17,19H,7,9-10,12-15H2,1-2H3
InChIKeyFDVMJVKEBUYLKY-UHFFFAOYSA-N
XLogP3.48
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile (CID 134237203) is 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile is CC1CC(c2ccc(C#N)c3ncccc23)CN(CC2CCN(C)C2)C1.
What is the InChIKey of 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile?
The InChIKey is FDVMJVKEBUYLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-16-10-19(15-26(12-16)14-17-7-9-25(2)13-17)20-6-5-18(11-23)22-21(20)4-3-8-24-22/h3-6,8,16-17,19H,7,9-10,12-15H2,1-2H3.
What are the key properties of 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile?
5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile has a molecular weight of 348.49 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 134237203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).