4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile

C17H19N3 — CID 115667709

IUPAC4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
SMILESCCCC1CCN(c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H19N3/c1-2-5-13-8-9-20(12-13)17-14(10-18)11-19-16-7-4-3-6-15(16)17/h3-4,6-7,11,13H,2,5,8-9,12H2,1H3
InChIKeyHSQQKCZUQLWXNT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.73
Rot. Bonds3

About 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile

4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile (PubChem CID 115667709) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
PubChem CID115667709
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
SMILESCCCC1CCN(c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H19N3/c1-2-5-13-8-9-20(12-13)17-14(10-18)11-19-16-7-4-3-6-15(16)17/h3-4,6-7,11,13H,2,5,8-9,12H2,1H3
InChIKeyHSQQKCZUQLWXNT-UHFFFAOYSA-N
XLogP3.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile (CID 115667709) is 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile is CCCC1CCN(c2c(C#N)cnc3ccccc23)C1.
What is the InChIKey of 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is HSQQKCZUQLWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-5-13-8-9-20(12-13)17-14(10-18)11-19-16-7-4-3-6-15(16)17/h3-4,6-7,11,13H,2,5,8-9,12H2,1H3.
What are the key properties of 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile?
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 115667709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).