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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Related Compounds

4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline
CID 3551243
N,N-dimethylbenzo[a]acridin-9-amine
CID 23422075
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
CID 53315181
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline
CID 6052008
4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 20724554
4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 59923921
N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylbenzo[g]indol-1-ium-2-yl)ethenyl]aniline
CID 14496853

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).