4-(2-phenylethenyl)cinnoline

C16H12N2 — CID 22797

IUPAC4-(2-phenylethenyl)cinnoline
SMILESC(=Cc1cnnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H12N2/c1-2-6-13(7-3-1)10-11-14-12-17-18-16-9-5-4-8-15(14)16/h1-12H
InChIKeyVQXIUGSZPAZYGV-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.80
Rot. Bonds2

About 4-(2-phenylethenyl)cinnoline

4-(2-phenylethenyl)cinnoline (PubChem CID 22797) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(2-phenylethenyl)cinnoline.

Molecular Properties

Compound Name4-(2-phenylethenyl)cinnoline
PubChem CID22797
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name4-(2-phenylethenyl)cinnoline
SMILESC(=Cc1cnnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H12N2/c1-2-6-13(7-3-1)10-11-14-12-17-18-16-9-5-4-8-15(14)16/h1-12H
InChIKeyVQXIUGSZPAZYGV-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)cinnoline?
The IUPAC name of 4-(2-phenylethenyl)cinnoline (CID 22797) is 4-(2-phenylethenyl)cinnoline.
What is the SMILES notation for 4-(2-phenylethenyl)cinnoline?
The canonical SMILES for 4-(2-phenylethenyl)cinnoline is C(=Cc1cnnc2ccccc12)c1ccccc1.
What is the InChIKey of 4-(2-phenylethenyl)cinnoline?
The InChIKey is VQXIUGSZPAZYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-6-13(7-3-1)10-11-14-12-17-18-16-9-5-4-8-15(14)16/h1-12H.
What are the key properties of 4-(2-phenylethenyl)cinnoline?
4-(2-phenylethenyl)cinnoline has a molecular weight of 232.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)cinnoline is sourced from PubChem (CID 22797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).