N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine

C17H16ClN2+ — CID 71590015

IUPACN-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine
SMILESCN(c1cc2ccccc2[n+](C)c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN2/c1-19-12-14(11-13-7-3-5-9-16(13)19)20(2)17-10-6-4-8-15(17)18/h3-12H,1-2H3/q+1
InChIKeyRIVNWTPYLGCIMI-UHFFFAOYSA-N
MW283.78 g/mol
LogP4.09
Rot. Bonds2

About N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine

N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine (PubChem CID 71590015) has the molecular formula C17H16ClN2+ and a molecular weight of 283.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine
PubChem CID71590015
Molecular FormulaC17H16ClN2+
Molecular Weight283.78 g/mol
Exact Mass283.10
IUPAC NameN-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine
SMILESCN(c1cc2ccccc2[n+](C)c1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN2/c1-19-12-14(11-13-7-3-5-9-16(13)19)20(2)17-10-6-4-8-15(17)18/h3-12H,1-2H3/q+1
InChIKeyRIVNWTPYLGCIMI-UHFFFAOYSA-N
XLogP4.09
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methylquinolin-1-ium-3-thiol
CID 23422217
N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-3-yl)ethenyl]aniline
CID 122228565
3-(2-chloro-N-methylanilino)benzoic acid
CID 117029299
N-(2-chlorophenyl)-N-methylhydroxylamine
CID 87898260
N-(2-chlorophenyl)-N-methylthiohydroxylamine
CID 89048584
3-chloro-2-methylisoquinolin-2-ium
CID 5188840
ethane;N,N,2-trichloroaniline
CID 90006156
3-bromo-2-chloro-1-methylquinolin-1-ium
CID 51051371
[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone
CID 162398162
3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline
CID 110455038
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
N,N,2-trichloroaniline;hydrochloride
CID 88693018

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine?
The IUPAC name of N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine (CID 71590015) is N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine is CN(c1cc2ccccc2[n+](C)c1)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine?
The InChIKey is RIVNWTPYLGCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN2/c1-19-12-14(11-13-7-3-5-9-16(13)19)20(2)17-10-6-4-8-15(17)18/h3-12H,1-2H3/q+1.
What are the key properties of N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine?
N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine has a molecular weight of 283.78 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine is sourced from PubChem (CID 71590015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).