N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine

C19H20N2OS — CID 31196612

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine
SMILESCOc1ccc(CNc2cc(C)c3cc(SC)ccc3n2)cc1
InChIInChI=1S/C19H20N2OS/c1-13-10-19(20-12-14-4-6-15(22-2)7-5-14)21-18-9-8-16(23-3)11-17(13)18/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyYMAJWYAEZMINJY-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.89
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine

N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine (PubChem CID 31196612) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine
PubChem CID31196612
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine
SMILESCOc1ccc(CNc2cc(C)c3cc(SC)ccc3n2)cc1
InChIInChI=1S/C19H20N2OS/c1-13-10-19(20-12-14-4-6-15(22-2)7-5-14)21-18-9-8-16(23-3)11-17(13)18/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyYMAJWYAEZMINJY-UHFFFAOYSA-N
XLogP4.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
CID 31196496
7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine
CID 166460553
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
methyl 6-[(4-methoxyphenyl)methylamino]-8-methyl-1,5-naphthyridine-3-carboxylate
CID 166460491
2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine
CID 135088222
5-methoxy-N-[(4-methylsulfanylphenyl)methyl]-2-phenoxyaniline
CID 20504120
N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
CID 2876854
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
2-N-[(4-methoxyphenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126731
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine (CID 31196612) is N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine is COc1ccc(CNc2cc(C)c3cc(SC)ccc3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine?
The InChIKey is YMAJWYAEZMINJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13-10-19(20-12-14-4-6-15(22-2)7-5-14)21-18-9-8-16(23-3)11-17(13)18/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine?
N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine has a molecular weight of 324.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine is sourced from PubChem (CID 31196612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).