N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline

C24H30N2 — CID 154529819

IUPACN,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/C2=CN(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C24H30N2/c1-6-26(7-2)21-16-13-19(14-17-21)12-15-20-18-25(5)23-11-9-8-10-22(23)24(20,3)4/h8-18H,6-7H2,1-5H3/b15-12+
InChIKeyZGWFRSDOQYLYQT-NTCAYCPXSA-N
MW346.52 g/mol
LogP5.86
Rot. Bonds5

About N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline

N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline (PubChem CID 154529819) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline
PubChem CID154529819
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC NameN,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/C2=CN(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C24H30N2/c1-6-26(7-2)21-16-13-19(14-17-21)12-15-20-18-25(5)23-11-9-8-10-22(23)24(20,3)4/h8-18H,6-7H2,1-5H3/b15-12+
InChIKeyZGWFRSDOQYLYQT-NTCAYCPXSA-N
XLogP5.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.86
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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Related Compounds

1,4,4-trimethyl-3-(2-pyridin-3-ylethenyl)quinoline
CID 142066425
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
4-[2-[1-[3-[2-[2-[4-(diethylamino)phenyl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-N,N-diethylaniline
CID 59383266
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline
CID 86173463
N,N-diethyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 58518835

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline (CID 154529819) is N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline is CCN(CC)c1ccc(/C=C/C2=CN(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline?
The InChIKey is ZGWFRSDOQYLYQT-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H30N2/c1-6-26(7-2)21-16-13-19(14-17-21)12-15-20-18-25(5)23-11-9-8-10-22(23)24(20,3)4/h8-18H,6-7H2,1-5H3/b15-12+.
What are the key properties of N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline?
N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline has a molecular weight of 346.52 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-2-(1,4,4-trimethylquinolin-3-yl)ethenyl]aniline is sourced from PubChem (CID 154529819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).