3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline

C20H19N — CID 21061110

IUPAC3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline
SMILESCCc1cc2cc(/C=C/c3ccccc3)ccc2nc1C
InChIInChI=1S/C20H19N/c1-3-18-14-19-13-17(11-12-20(19)21-15(18)2)10-9-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3/b10-9+
InChIKeyPBHPOLZOKSQYKG-MDZDMXLPSA-N
MW273.38 g/mol
LogP5.28
Rot. Bonds3

About 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline

3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline (PubChem CID 21061110) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline
PubChem CID21061110
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline
SMILESCCc1cc2cc(/C=C/c3ccccc3)ccc2nc1C
InChIInChI=1S/C20H19N/c1-3-18-14-19-13-17(11-12-20(19)21-15(18)2)10-9-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3/b10-9+
InChIKeyPBHPOLZOKSQYKG-MDZDMXLPSA-N
XLogP5.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline (CID 21061110) is 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline is CCc1cc2cc(/C=C/c3ccccc3)ccc2nc1C.
What is the InChIKey of 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline?
The InChIKey is PBHPOLZOKSQYKG-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H19N/c1-3-18-14-19-13-17(11-12-20(19)21-15(18)2)10-9-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3/b10-9+.
What are the key properties of 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline?
3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline has a molecular weight of 273.38 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 21061110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).