3-[(E)-2-phenylethenyl]quinoline

C17H13N — CID 10243001

IUPAC3-[(E)-2-phenylethenyl]quinoline
SMILESC(=C/c1cnc2ccccc2c1)\c1ccccc1
InChIInChI=1S/C17H13N/c1-2-6-14(7-3-1)10-11-15-12-16-8-4-5-9-17(16)18-13-15/h1-13H/b11-10+
InChIKeyOHHPAEZEBAYVPW-ZHACJKMWSA-N
MW231.30 g/mol
LogP4.41
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]quinoline

3-[(E)-2-phenylethenyl]quinoline (PubChem CID 10243001) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]quinoline
PubChem CID10243001
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name3-[(E)-2-phenylethenyl]quinoline
SMILESC(=C/c1cnc2ccccc2c1)\c1ccccc1
InChIInChI=1S/C17H13N/c1-2-6-14(7-3-1)10-11-15-12-16-8-4-5-9-17(16)18-13-15/h1-13H/b11-10+
InChIKeyOHHPAEZEBAYVPW-ZHACJKMWSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 3-[(E)-2-phenylethenyl]quinoline (CID 10243001) is 3-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 3-[(E)-2-phenylethenyl]quinoline is C(=C/c1cnc2ccccc2c1)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]quinoline?
The InChIKey is OHHPAEZEBAYVPW-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13N/c1-2-6-14(7-3-1)10-11-15-12-16-8-4-5-9-17(16)18-13-15/h1-13H/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]quinoline?
3-[(E)-2-phenylethenyl]quinoline has a molecular weight of 231.30 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 10243001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).