4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline

C21H22N2 — CID 92527910

IUPAC4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline
SMILESCc1cc(C)c2nccc(/C=C\c3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C21H22N2/c1-15-13-16(2)21-20(14-15)18(11-12-22-21)8-5-17-6-9-19(10-7-17)23(3)4/h5-14H,1-4H3/b8-5-
InChIKeyIBHYYZVZCOADBR-YVMONPNESA-N
MW302.42 g/mol
LogP5.09
Rot. Bonds3

About 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline

4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 92527910) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline
PubChem CID92527910
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline
SMILESCc1cc(C)c2nccc(/C=C\c3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C21H22N2/c1-15-13-16(2)21-20(14-15)18(11-12-22-21)8-5-17-6-9-19(10-7-17)23(3)4/h5-14H,1-4H3/b8-5-
InChIKeyIBHYYZVZCOADBR-YVMONPNESA-N
XLogP5.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.09
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-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline (CID 92527910) is 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline is Cc1cc(C)c2nccc(/C=C\c3ccc(N(C)C)cc3)c2c1.
What is the InChIKey of 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is IBHYYZVZCOADBR-YVMONPNESA-N. The full InChI is InChI=1S/C21H22N2/c1-15-13-16(2)21-20(14-15)18(11-12-22-21)8-5-17-6-9-19(10-7-17)23(3)4/h5-14H,1-4H3/b8-5-.
What are the key properties of 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline?
4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 302.42 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 92527910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).