4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile

C23H23N3 — CID 46890562

IUPAC4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
InChIKeyLQLTVDHLUGEPRE-QGZVFWFLSA-N
MW341.46 g/mol
LogP4.80
Rot. Bonds4

About 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile

4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile (PubChem CID 46890562) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile
PubChem CID46890562
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
InChIKeyLQLTVDHLUGEPRE-QGZVFWFLSA-N
XLogP4.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile?
The IUPAC name of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile (CID 46890562) is 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile?
The InChIKey is LQLTVDHLUGEPRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile?
4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile has a molecular weight of 341.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]benzonitrile is sourced from PubChem (CID 46890562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).