8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine

C17H16N2S — CID 61244156

IUPAC8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine
SMILESCc1cccc(SCc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C17H16N2S/c1-12-4-2-5-14(10-12)20-11-13-7-8-16(18)15-6-3-9-19-17(13)15/h2-10H,11,18H2,1H3
InChIKeyBOHUKJBIHALZJD-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.42
Rot. Bonds3

About 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine

8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine (PubChem CID 61244156) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine
PubChem CID61244156
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine
SMILESCc1cccc(SCc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C17H16N2S/c1-12-4-2-5-14(10-12)20-11-13-7-8-16(18)15-6-3-9-19-17(13)15/h2-10H,11,18H2,1H3
InChIKeyBOHUKJBIHALZJD-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

5-(3-methylphenyl)sulfanylquinolin-8-amine
CID 61244888
2-chloro-4-[(5-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 79130214
8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine
CID 43518973
8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine
CID 43376990
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
CID 43376447
2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
CID 79259714
3-[(5-aminoquinolin-8-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66104423
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
2-[(5-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249080
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118906
8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
CID 64855173
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine?
The IUPAC name of 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine (CID 61244156) is 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine.
What is the SMILES notation for 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine?
The canonical SMILES for 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine is Cc1cccc(SCc2ccc(N)c3cccnc23)c1.
What is the InChIKey of 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine?
The InChIKey is BOHUKJBIHALZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-4-2-5-14(10-12)20-11-13-7-8-16(18)15-6-3-9-19-17(13)15/h2-10H,11,18H2,1H3.
What are the key properties of 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine?
8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-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 8-[(3-methylphenyl)sulfanylmethyl]quinolin-5-amine is sourced from PubChem (CID 61244156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).