3-[(2R)-1-butylpyrrolidin-2-yl]quinoline

C17H22N2 — CID 124500186

IUPAC3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
SMILESCCCCN1CCC[C@@H]1c1cnc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-2-3-10-19-11-6-9-17(19)15-12-14-7-4-5-8-16(14)18-13-15/h4-5,7-8,12-13,17H,2-3,6,9-11H2,1H3/t17-/m1/s1
InChIKeyGRQPEMKTUAJZNY-QGZVFWFLSA-N
MW254.38 g/mol
LogP4.17
Rot. Bonds4

About 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline

3-[(2R)-1-butylpyrrolidin-2-yl]quinoline (PubChem CID 124500186) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline.

Molecular Properties

Compound Name3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
PubChem CID124500186
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
SMILESCCCCN1CCC[C@@H]1c1cnc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-2-3-10-19-11-6-9-17(19)15-12-14-7-4-5-8-16(14)18-13-15/h4-5,7-8,12-13,17H,2-3,6,9-11H2,1H3/t17-/m1/s1
InChIKeyGRQPEMKTUAJZNY-QGZVFWFLSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline?
The IUPAC name of 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline (CID 124500186) is 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline.
What is the SMILES notation for 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline?
The canonical SMILES for 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline is CCCCN1CCC[C@@H]1c1cnc2ccccc2c1.
What is the InChIKey of 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline?
The InChIKey is GRQPEMKTUAJZNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-3-10-19-11-6-9-17(19)15-12-14-7-4-5-8-16(14)18-13-15/h4-5,7-8,12-13,17H,2-3,6,9-11H2,1H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline?
3-[(2R)-1-butylpyrrolidin-2-yl]quinoline has a molecular weight of 254.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-butylpyrrolidin-2-yl]quinoline is sourced from PubChem (CID 124500186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).