4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline

C17H16N2S — CID 79142489

IUPAC4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
SMILESCc1ccc(N)c(SCc2ccc3ncccc3c2)c1
InChIInChI=1S/C17H16N2S/c1-12-4-6-15(18)17(9-12)20-11-13-5-7-16-14(10-13)3-2-8-19-16/h2-10H,11,18H2,1H3
InChIKeyVOQHJSUXAMVGKH-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.42
Rot. Bonds3

About 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline

4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline (PubChem CID 79142489) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
PubChem CID79142489
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
SMILESCc1ccc(N)c(SCc2ccc3ncccc3c2)c1
InChIInChI=1S/C17H16N2S/c1-12-4-6-15(18)17(9-12)20-11-13-5-7-16-14(10-13)3-2-8-19-16/h2-10H,11,18H2,1H3
InChIKeyVOQHJSUXAMVGKH-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-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
CID 43300080
3,5-difluoro-4-(quinolin-6-ylmethylsulfanyl)aniline
CID 61359856
6-methylquinoline
CID 7059
4-[(2-amino-5-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79142072
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
6-[(2,5-dimethylphenyl)methyl]quinoline
CID 156905634
iodoethane;6-methylquinoline
CID 160581758
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
CID 66222730
4-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]aniline
CID 79142990
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
[5-(quinolin-6-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630181
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline?
The IUPAC name of 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline (CID 79142489) is 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline.
What is the SMILES notation for 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline?
The canonical SMILES for 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline is Cc1ccc(N)c(SCc2ccc3ncccc3c2)c1.
What is the InChIKey of 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline?
The InChIKey is VOQHJSUXAMVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-4-6-15(18)17(9-12)20-11-13-5-7-16-14(10-13)3-2-8-19-16/h2-10H,11,18H2,1H3.
What are the key properties of 4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline?
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline 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-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline is sourced from PubChem (CID 79142489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).