4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine

C17H16N2S — CID 103002572

IUPAC4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine
SMILESCc1cccc(CSc2ccnc3cc(N)ccc23)c1
InChIInChI=1S/C17H16N2S/c1-12-3-2-4-13(9-12)11-20-17-7-8-19-16-10-14(18)5-6-15(16)17/h2-10H,11,18H2,1H3
InChIKeyRJZBGBWSKCTYEF-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.42
Rot. Bonds3

About 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine

4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine (PubChem CID 103002572) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine
PubChem CID103002572
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine
SMILESCc1cccc(CSc2ccnc3cc(N)ccc23)c1
InChIInChI=1S/C17H16N2S/c1-12-3-2-4-13(9-12)11-20-17-7-8-19-16-10-14(18)5-6-15(16)17/h2-10H,11,18H2,1H3
InChIKeyRJZBGBWSKCTYEF-UHFFFAOYSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine
CID 103002556
4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine
CID 103002487
4-(2-bromophenyl)sulfanylquinolin-7-amine
CID 103002516
5-iodo-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 66081378
4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine
CID 103963903
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
4-[(3-fluorophenyl)methylsulfanyl]-3-methylaniline
CID 43303172
(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 63371638
2-[(3,5-dimethylphenyl)methylsulfanyl]-4-methylaniline
CID 79142554

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine?
The IUPAC name of 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine (CID 103002572) is 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine.
What is the SMILES notation for 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine?
The canonical SMILES for 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine is Cc1cccc(CSc2ccnc3cc(N)ccc23)c1.
What is the InChIKey of 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine?
The InChIKey is RJZBGBWSKCTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-3-2-4-13(9-12)11-20-17-7-8-19-16-10-14(18)5-6-15(16)17/h2-10H,11,18H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine?
4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine has a molecular weight of 280.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine is sourced from PubChem (CID 103002572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).