N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride

C19H19ClN2 — CID 6508810

IUPACN,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
SMILESCN(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H18N2.ClH/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17;/h3-14H,1-2H3;1H/b11-7+;
InChIKeyRBYAUDVGAZHYSJ-RVDQCCQOSA-N
MW310.83 g/mol
LogP4.89
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride

N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride (PubChem CID 6508810) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
PubChem CID6508810
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC NameN,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
SMILESCN(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H18N2.ClH/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17;/h3-14H,1-2H3;1H/b11-7+;
InChIKeyRBYAUDVGAZHYSJ-RVDQCCQOSA-N
XLogP4.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.89
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

N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
CID 40700748
2-[N-methyl-4-[(E)-2-quinolin-2-ylethenyl]anilino]propanoic acid
CID 20709092
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
CID 2750433
N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline
CID 71653668
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
2-[(E)-2-[4-(azetidin-1-yl)phenyl]ethenyl]quinoline
CID 141489651
2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol
CID 141489653
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride?
The IUPAC name of N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride (CID 6508810) is N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride is CN(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride?
The InChIKey is RBYAUDVGAZHYSJ-RVDQCCQOSA-N. The full InChI is InChI=1S/C19H18N2.ClH/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17;/h3-14H,1-2H3;1H/b11-7+;.
What are the key properties of N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride?
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 4.89, 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-quinolin-2-ylethenyl]aniline;hydrochloride is sourced from PubChem (CID 6508810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).