4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline

C29H29N3 — CID 7085505

IUPAC4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2cc(/C=C/c3ccc(N(C)C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C29H29N3/c1-31(2)26-17-11-22(12-18-26)9-15-24-21-25(30-29-8-6-5-7-28(24)29)16-10-23-13-19-27(20-14-23)32(3)4/h5-21H,1-4H3/b15-9?,16-10+
InChIKeyJYZURQWLRUTRQE-HHEGBNDJSA-N
MW419.57 g/mol
LogP6.71
Rot. Bonds6

About 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline

4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 7085505) has the molecular formula C29H29N3 and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
PubChem CID7085505
Molecular FormulaC29H29N3
Molecular Weight419.57 g/mol
Exact Mass419.24
IUPAC Name4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2cc(/C=C/c3ccc(N(C)C)cc3)nc3ccccc23)cc1
InChIInChI=1S/C29H29N3/c1-31(2)26-17-11-22(12-18-26)9-15-24-21-25(30-29-8-6-5-7-28(24)29)16-10-23-13-19-27(20-14-23)32(3)4/h5-21H,1-4H3/b15-9?,16-10+
InChIKeyJYZURQWLRUTRQE-HHEGBNDJSA-N
XLogP6.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
CID 175683957
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
N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
CID 40700748
4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
CID 53315199
4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-2-yl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;ethane;4-(2-thiophen-2-ylethenyl)-2-[4-(2-thiophen-2-ylethenyl)-2-pyridinyl]pyridine
CID 161419881
2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3875764
N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
CID 53315181
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-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 18432979

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline (CID 7085505) is 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=Cc2cc(/C=C/c3ccc(N(C)C)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is JYZURQWLRUTRQE-HHEGBNDJSA-N. The full InChI is InChI=1S/C29H29N3/c1-31(2)26-17-11-22(12-18-26)9-15-24-21-25(30-29-8-6-5-7-28(24)29)16-10-23-13-19-27(20-14-23)32(3)4/h5-21H,1-4H3/b15-9?,16-10+.
What are the key properties of 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline?
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 419.57 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 7085505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).