N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline

C20H20N2 — CID 40700748

IUPACN,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
SMILESCc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C20H20N2/c1-15-4-13-20-17(14-15)8-10-18(21-20)9-5-16-6-11-19(12-7-16)22(2)3/h4-14H,1-3H3/b9-5+
InChIKeyHJLUKNMELQCKHX-WEVVVXLNSA-N
MW288.39 g/mol
LogP4.78
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline

N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline (PubChem CID 40700748) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
PubChem CID40700748
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
SMILESCc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)ccc2c1
InChIInChI=1S/C20H20N2/c1-15-4-13-20-17(14-15)8-10-18(21-20)9-5-16-6-11-19(12-7-16)22(2)3/h4-14H,1-3H3/b9-5+
InChIKeyHJLUKNMELQCKHX-WEVVVXLNSA-N
XLogP4.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.78
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 N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline (CID 40700748) is N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline is Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)ccc2c1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline?
The InChIKey is HJLUKNMELQCKHX-WEVVVXLNSA-N. The full InChI is InChI=1S/C20H20N2/c1-15-4-13-20-17(14-15)8-10-18(21-20)9-5-16-6-11-19(12-7-16)22(2)3/h4-14H,1-3H3/b9-5+.
What are the key properties of N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline?
N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline is sourced from PubChem (CID 40700748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).