N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine

C19H21N2O2+ — CID 5034037

IUPACN-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine
SMILESCOc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)c(OC)c1
InChIInChI=1S/C19H20N2O2/c1-12-6-5-7-15-17(10-13(2)20-19(12)15)21-16-9-8-14(22-3)11-18(16)23-4/h5-11H,1-4H3,(H,20,21)/p+1
InChIKeyFERBQJVRPHTIHD-UHFFFAOYSA-O
MW309.39 g/mol
LogP4.03
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine

N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine (PubChem CID 5034037) has the molecular formula C19H21N2O2+ and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine
PubChem CID5034037
Molecular FormulaC19H21N2O2+
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine
SMILESCOc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)c(OC)c1
InChIInChI=1S/C19H20N2O2/c1-12-6-5-7-15-17(10-13(2)20-19(12)15)21-16-9-8-14(22-3)11-18(16)23-4/h5-11H,1-4H3,(H,20,21)/p+1
InChIKeyFERBQJVRPHTIHD-UHFFFAOYSA-O
XLogP4.03
TPSA44.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
CID 1391620
N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride
CID 44657231
4-[(8-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoic acid
CID 1398391
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
2-(2,4-dimethoxyanilino)-3-methylbenzenecarbothioamide
CID 107107680
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
N-(2,4-dimethoxyphenyl)-2,6,8-trimethylquinolin-4-amine;hydrochloride
CID 2790789
N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide
CID 112987972
2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
CID 44661730
N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine
CID 164609477
2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471
7-bromo-N-(2,4-dimethoxyphenyl)quinolin-4-amine
CID 50877851

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine (CID 5034037) is N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine is COc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine?
The InChIKey is FERBQJVRPHTIHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N2O2/c1-12-6-5-7-15-17(10-13(2)20-19(12)15)21-16-9-8-14(22-3)11-18(16)23-4/h5-11H,1-4H3,(H,20,21)/p+1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine?
N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine has a molecular weight of 309.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine is sourced from PubChem (CID 5034037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).