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

C33H33N3 — CID 20724554

IUPAC4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=C/c2cc(/C=C/C=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C33H33N3/c1-35(2)30-21-17-26(18-22-30)11-5-7-13-28-25-29(34-33-16-10-9-15-32(28)33)14-8-6-12-27-19-23-31(24-20-27)36(3)4/h5-25H,1-4H3/b11-5+,12-6+,13-7+,14-8+
InChIKeySNGYMIFLJAIAFN-JRXATRHQSA-N
MW471.65 g/mol
LogP7.82
Rot. Bonds8

About 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

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 (PubChem CID 20724554) has the molecular formula C33H33N3 and a molecular weight of 471.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline
PubChem CID20724554
Molecular FormulaC33H33N3
Molecular Weight471.65 g/mol
Exact Mass471.27
IUPAC Name4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=C/c2cc(/C=C/C=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C33H33N3/c1-35(2)30-21-17-26(18-22-30)11-5-7-13-28-25-29(34-33-16-10-9-15-32(28)33)14-8-6-12-27-19-23-31(24-20-27)36(3)4/h5-25H,1-4H3/b11-5+,12-6+,13-7+,14-8+
InChIKeySNGYMIFLJAIAFN-JRXATRHQSA-N
XLogP7.82
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
CID 53315181
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-[(1E,3E)-4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-6-yl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 20724558
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
CID 53315199
4-[(1E,3E)-4-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 20724556
4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
CID 175683957
2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3875764
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc(/C=C/C=C/c2cc(/C=C/C=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 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?
The InChIKey is SNGYMIFLJAIAFN-JRXATRHQSA-N. The full InChI is InChI=1S/C33H33N3/c1-35(2)30-21-17-26(18-22-30)11-5-7-13-28-25-29(34-33-16-10-9-15-32(28)33)14-8-6-12-27-19-23-31(24-20-27)36(3)4/h5-25H,1-4H3/b11-5+,12-6+,13-7+,14-8+.
What are the key properties of 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?
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 has a molecular weight of 471.65 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20724554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).