4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline

C23H22N2 — CID 53315260

IUPAC4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/N2C=CCc3c2ccc2ccccc32)cc1
InChIInChI=1S/C23H22N2/c1-24(2)20-12-9-18(10-13-20)15-17-25-16-5-8-22-21-7-4-3-6-19(21)11-14-23(22)25/h3-7,9-17H,8H2,1-2H3/b17-15+
InChIKeyBWSUEFYVJWATIP-BMRADRMJSA-N
MW326.44 g/mol
LogP5.45
Rot. Bonds3

About 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 53315260) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline
PubChem CID53315260
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/N2C=CCc3c2ccc2ccccc32)cc1
InChIInChI=1S/C23H22N2/c1-24(2)20-12-9-18(10-13-20)15-17-25-16-5-8-22-21-7-4-3-6-19(21)11-14-23(22)25/h3-7,9-17H,8H2,1-2H3/b17-15+
InChIKeyBWSUEFYVJWATIP-BMRADRMJSA-N
XLogP5.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline (CID 53315260) is 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/N2C=CCc3c2ccc2ccccc32)cc1.
What is the InChIKey of 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is BWSUEFYVJWATIP-BMRADRMJSA-N. The full InChI is InChI=1S/C23H22N2/c1-24(2)20-12-9-18(10-13-20)15-17-25-16-5-8-22-21-7-4-3-6-19(21)11-14-23(22)25/h3-7,9-17H,8H2,1-2H3/b17-15+.
What are the key properties of 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 326.44 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-benzo[f]quinolin-4-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 53315260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).