8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride

C13H16Cl2N2 — CID 154574794

IUPAC8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2c([C@@H]3CCCN3)cccc2c1
InChIInChI=1S/C13H14N2.2ClH/c1-4-10-5-2-9-15-13(10)11(6-1)12-7-3-8-14-12;;/h1-2,4-6,9,12,14H,3,7-8H2;2*1H/t12-;;/m0../s1
InChIKeyZSCIQYZMAHJGDF-LTCKWSDVSA-N
MW271.19 g/mol
LogP3.50
Rot. Bonds1

About 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride

8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride (PubChem CID 154574794) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride.

Molecular Properties

Compound Name8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
PubChem CID154574794
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2c([C@@H]3CCCN3)cccc2c1
InChIInChI=1S/C13H14N2.2ClH/c1-4-10-5-2-9-15-13(10)11(6-1)12-7-3-8-14-12;;/h1-2,4-6,9,12,14H,3,7-8H2;2*1H/t12-;;/m0../s1
InChIKeyZSCIQYZMAHJGDF-LTCKWSDVSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-pyrrolidin-2-ylquinoxaline
CID 104614202
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
CID 171195423
8-cyclopropylquinoline
CID 66823369
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
(2S)-2-(1-benzothiophen-7-yl)pyrrolidine
CID 97053087
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride?
The IUPAC name of 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride (CID 154574794) is 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride.
What is the SMILES notation for 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride?
The canonical SMILES for 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride is Cl.Cl.c1cnc2c([C@@H]3CCCN3)cccc2c1.
What is the InChIKey of 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride?
The InChIKey is ZSCIQYZMAHJGDF-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H14N2.2ClH/c1-4-10-5-2-9-15-13(10)11(6-1)12-7-3-8-14-12;;/h1-2,4-6,9,12,14H,3,7-8H2;2*1H/t12-;;/m0../s1.
What are the key properties of 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride?
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride has a molecular weight of 271.19 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride is sourced from PubChem (CID 154574794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).