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

C17H13N — CID 5357469

IUPAC2-[(E)-2-phenylethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1ccccc1
InChIInChI=1S/C17H13N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-13H/b12-10+
InChIKeyRLGKSXCGHMXELQ-ZRDIBKRKSA-N
MW231.30 g/mol
LogP4.41
Rot. Bonds2

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

2-[(E)-2-phenylethenyl]quinoline (PubChem CID 5357469) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]quinoline
PubChem CID5357469
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name2-[(E)-2-phenylethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1ccccc1
InChIInChI=1S/C17H13N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-13H/b12-10+
InChIKeyRLGKSXCGHMXELQ-ZRDIBKRKSA-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 2-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 2-[(E)-2-phenylethenyl]quinoline (CID 5357469) is 2-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-phenylethenyl]quinoline is C(=C/c1ccc2ccccc2n1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]quinoline?
The InChIKey is RLGKSXCGHMXELQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H13N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-13H/b12-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]quinoline?
2-[(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 2-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 5357469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).