4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline

C23H20N2 — CID 53315199

IUPAC4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cnc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C23H20N2/c1-25(2)20-12-9-17(10-13-20)7-8-18-15-22-21-6-4-3-5-19(21)11-14-23(22)24-16-18/h3-16H,1-2H3/b8-7+
InChIKeyGMPZOMZSWDXRLI-BQYQJAHWSA-N
MW324.43 g/mol
LogP5.62
Rot. Bonds3

About 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline

4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline (PubChem CID 53315199) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
PubChem CID53315199
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cnc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C23H20N2/c1-25(2)20-12-9-17(10-13-20)7-8-18-15-22-21-6-4-3-5-19(21)11-14-23(22)24-16-18/h3-16H,1-2H3/b8-7+
InChIKeyGMPZOMZSWDXRLI-BQYQJAHWSA-N
XLogP5.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline (CID 53315199) is 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2cnc3ccc4ccccc4c3c2)cc1.
What is the InChIKey of 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline?
The InChIKey is GMPZOMZSWDXRLI-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H20N2/c1-25(2)20-12-9-17(10-13-20)7-8-18-15-22-21-6-4-3-5-19(21)11-14-23(22)24-16-18/h3-16H,1-2H3/b8-7+.
What are the key properties of 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline?
4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline has a molecular weight of 324.43 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 53315199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).