3-[(2S)-azetidin-2-yl]quinoline

C12H12N2 — CID 55278758

IUPAC3-[(2S)-azetidin-2-yl]quinoline
SMILESc1ccc2ncc([C@@H]3CCN3)cc2c1
InChIInChI=1S/C12H12N2/c1-2-4-11-9(3-1)7-10(8-14-11)12-5-6-13-12/h1-4,7-8,12-13H,5-6H2/t12-/m0/s1
InChIKeyVIPCHZBEHNELMP-LBPRGKRZSA-N
MW184.24 g/mol
LogP2.27
Rot. Bonds1

About 3-[(2S)-azetidin-2-yl]quinoline

3-[(2S)-azetidin-2-yl]quinoline (PubChem CID 55278758) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[(2S)-azetidin-2-yl]quinoline.

Molecular Properties

Compound Name3-[(2S)-azetidin-2-yl]quinoline
PubChem CID55278758
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-[(2S)-azetidin-2-yl]quinoline
SMILESc1ccc2ncc([C@@H]3CCN3)cc2c1
InChIInChI=1S/C12H12N2/c1-2-4-11-9(3-1)7-10(8-14-11)12-5-6-13-12/h1-4,7-8,12-13H,5-6H2/t12-/m0/s1
InChIKeyVIPCHZBEHNELMP-LBPRGKRZSA-N
XLogP2.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-azetidin-2-yl]quinoline?
The IUPAC name of 3-[(2S)-azetidin-2-yl]quinoline (CID 55278758) is 3-[(2S)-azetidin-2-yl]quinoline.
What is the SMILES notation for 3-[(2S)-azetidin-2-yl]quinoline?
The canonical SMILES for 3-[(2S)-azetidin-2-yl]quinoline is c1ccc2ncc([C@@H]3CCN3)cc2c1.
What is the InChIKey of 3-[(2S)-azetidin-2-yl]quinoline?
The InChIKey is VIPCHZBEHNELMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-4-11-9(3-1)7-10(8-14-11)12-5-6-13-12/h1-4,7-8,12-13H,5-6H2/t12-/m0/s1.
What are the key properties of 3-[(2S)-azetidin-2-yl]quinoline?
3-[(2S)-azetidin-2-yl]quinoline has a molecular weight of 184.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-azetidin-2-yl]quinoline is sourced from PubChem (CID 55278758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).