7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine

C16H16N4S — CID 171501156

IUPAC7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine
SMILESCSc1ncccc1NCc1ccc2ccc(N)nc2c1
InChIInChI=1S/C16H16N4S/c1-21-16-13(3-2-8-18-16)19-10-11-4-5-12-6-7-15(17)20-14(12)9-11/h2-9,19H,10H2,1H3,(H2,17,20)
InChIKeyLJRJYMCTWXWSGI-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.55
Rot. Bonds4

About 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine

7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine (PubChem CID 171501156) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine
PubChem CID171501156
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine
SMILESCSc1ncccc1NCc1ccc2ccc(N)nc2c1
InChIInChI=1S/C16H16N4S/c1-21-16-13(3-2-8-18-16)19-10-11-4-5-12-6-7-15(17)20-14(12)9-11/h2-9,19H,10H2,1H3,(H2,17,20)
InChIKeyLJRJYMCTWXWSGI-UHFFFAOYSA-N
XLogP3.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine
CID 118579721
2-methyl-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 79042132
4-N-benzyl-1,5-naphthyridine-2,4-diamine
CID 91308709
7-methylsulfanylquinolin-2-amine
CID 14067423
7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
CID 72771077
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124487
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
4-[(2-methylanilino)methyl]pyridin-2-amine
CID 105466971
ethane;methane;7-(4-phenylbutyl)quinolin-2-amine
CID 158161287
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475

Frequently Asked Questions

What is the IUPAC name of 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine?
The IUPAC name of 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine (CID 171501156) is 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine is CSc1ncccc1NCc1ccc2ccc(N)nc2c1.
What is the InChIKey of 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine?
The InChIKey is LJRJYMCTWXWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-21-16-13(3-2-8-18-16)19-10-11-4-5-12-6-7-15(17)20-14(12)9-11/h2-9,19H,10H2,1H3,(H2,17,20).
What are the key properties of 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine?
7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine has a molecular weight of 296.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2-methylsulfanyl-3-pyridinyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 171501156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).