2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline

C20H18N2 — CID 141489651

IUPAC2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1ccc(N2CCC2)cc1
InChIInChI=1S/C20H18N2/c1-2-5-20-17(4-1)9-11-18(21-20)10-6-16-7-12-19(13-8-16)22-14-3-15-22/h1-2,4-13H,3,14-15H2/b10-6+
InChIKeyDPHWFSGCIDSCFR-UXBLZVDNSA-N
MW286.38 g/mol
LogP4.62
Rot. Bonds3

About 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline

2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline (PubChem CID 141489651) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline
PubChem CID141489651
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1ccc(N2CCC2)cc1
InChIInChI=1S/C20H18N2/c1-2-5-20-17(4-1)9-11-18(21-20)10-6-16-7-12-19(13-8-16)22-14-3-15-22/h1-2,4-13H,3,14-15H2/b10-6+
InChIKeyDPHWFSGCIDSCFR-UXBLZVDNSA-N
XLogP4.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline (CID 141489651) is 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline is C(=C/c1ccc2ccccc2n1)\c1ccc(N2CCC2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline?
The InChIKey is DPHWFSGCIDSCFR-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H18N2/c1-2-5-20-17(4-1)9-11-18(21-20)10-6-16-7-12-19(13-8-16)22-14-3-15-22/h1-2,4-13H,3,14-15H2/b10-6+.
What are the key properties of 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline?
2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline has a molecular weight of 286.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline is sourced from PubChem (CID 141489651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).