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

C17H16N2S — CID 103963903

IUPAC4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine
SMILESCc1cccc(CSc2c(N)cnc3ccccc23)c1
InChIInChI=1S/C17H16N2S/c1-12-5-4-6-13(9-12)11-20-17-14-7-2-3-8-16(14)19-10-15(17)18/h2-10H,11,18H2,1H3
InChIKeyCIWNAGCTTCWGPJ-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.42
Rot. Bonds3

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

4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine (PubChem CID 103963903) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine
PubChem CID103963903
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine
SMILESCc1cccc(CSc2c(N)cnc3ccccc23)c1
InChIInChI=1S/C17H16N2S/c1-12-5-4-6-13(9-12)11-20-17-14-7-2-3-8-16(14)19-10-15(17)18/h2-10H,11,18H2,1H3
InChIKeyCIWNAGCTTCWGPJ-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

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Related Compounds

2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837
7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine
CID 15006897
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 81138237
4-[(3-methylphenyl)methylsulfanyl]quinolin-7-amine
CID 103002572
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
6-N,6-N-dimethyl-4-[(3-methylphenyl)methyl]quinoline-3,6-diamine
CID 67392005
5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
CID 62766078
5-iodo-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 66081378
[3-methyl-2-[(3-methylphenyl)methylsulfanyl]phenyl]methanamine
CID 107111298
2,4-diamino-5-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135434152
1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole
CID 43949269

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine?
The IUPAC name of 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine (CID 103963903) is 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine.
What is the SMILES notation for 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine?
The canonical SMILES for 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine is Cc1cccc(CSc2c(N)cnc3ccccc23)c1.
What is the InChIKey of 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine?
The InChIKey is CIWNAGCTTCWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-5-4-6-13(9-12)11-20-17-14-7-2-3-8-16(14)19-10-15(17)18/h2-10H,11,18H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine?
4-[(3-methylphenyl)methylsulfanyl]quinolin-3-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-3-amine is sourced from PubChem (CID 103963903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).