2-(azetidin-3-yl)-3-phenylquinoline

C18H16N2 — CID 58547244

IUPAC2-(azetidin-3-yl)-3-phenylquinoline
SMILESc1ccc(-c2cc3ccccc3nc2C2CNC2)cc1
InChIInChI=1S/C18H16N2/c1-2-6-13(7-3-1)16-10-14-8-4-5-9-17(14)20-18(16)15-11-19-12-15/h1-10,15,19H,11-12H2
InChIKeyKSGZHEPXPCCIFQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.59
Rot. Bonds2

About 2-(azetidin-3-yl)-3-phenylquinoline

2-(azetidin-3-yl)-3-phenylquinoline (PubChem CID 58547244) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-3-phenylquinoline.

Molecular Properties

Compound Name2-(azetidin-3-yl)-3-phenylquinoline
PubChem CID58547244
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-(azetidin-3-yl)-3-phenylquinoline
SMILESc1ccc(-c2cc3ccccc3nc2C2CNC2)cc1
InChIInChI=1S/C18H16N2/c1-2-6-13(7-3-1)16-10-14-8-4-5-9-17(14)20-18(16)15-11-19-12-15/h1-10,15,19H,11-12H2
InChIKeyKSGZHEPXPCCIFQ-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-3-phenylquinoline?
The IUPAC name of 2-(azetidin-3-yl)-3-phenylquinoline (CID 58547244) is 2-(azetidin-3-yl)-3-phenylquinoline.
What is the SMILES notation for 2-(azetidin-3-yl)-3-phenylquinoline?
The canonical SMILES for 2-(azetidin-3-yl)-3-phenylquinoline is c1ccc(-c2cc3ccccc3nc2C2CNC2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-3-phenylquinoline?
The InChIKey is KSGZHEPXPCCIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-6-13(7-3-1)16-10-14-8-4-5-9-17(14)20-18(16)15-11-19-12-15/h1-10,15,19H,11-12H2.
What are the key properties of 2-(azetidin-3-yl)-3-phenylquinoline?
2-(azetidin-3-yl)-3-phenylquinoline has a molecular weight of 260.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-3-phenylquinoline is sourced from PubChem (CID 58547244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).