4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine

C17H16N2S — CID 103002487

IUPAC4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine
SMILESCc1ccc(Sc2ccnc3cc(N)ccc23)cc1C
InChIInChI=1S/C17H16N2S/c1-11-3-5-14(9-12(11)2)20-17-7-8-19-16-10-13(18)4-6-15(16)17/h3-10H,18H2,1-2H3
InChIKeyVKVACKRUDVVRRG-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.59
Rot. Bonds2

About 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine

4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine (PubChem CID 103002487) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine
PubChem CID103002487
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine
SMILESCc1ccc(Sc2ccnc3cc(N)ccc23)cc1C
InChIInChI=1S/C17H16N2S/c1-11-3-5-14(9-12(11)2)20-17-7-8-19-16-10-13(18)4-6-15(16)17/h3-10H,18H2,1-2H3
InChIKeyVKVACKRUDVVRRG-UHFFFAOYSA-N
XLogP4.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.59
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

Quinoline, 4-(p-(methylthio)styryl)-
CID 5900081
N,N-diethyl-3-[(4-methylphenyl)sulfonyl]quinolin-4-amine
CID 5640487
N-Benzyl-3-(4-methylbenzenesulfonyl)quinolin-4-amine
CID 7184909
n-(4-(4-Methylpiperazin-1-yl)phenyl)-6-(4-(methylthio)phenyl)quinolin-4-amine
CID 11604613
3-(3,4-Dimethylphenyl)sulfonyl-6-ethyl-4-pyrrolidin-1-ylquinoline
CID 5642410
3-(3,4-Dimethylbenzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline
CID 16010918
N-[[2-[(dimethylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 46216721
N-(2,3-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 776900
4-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 3504937
3-Amino-9-(diethylaminoethylthio)acridine
CID 131126
N',N'-diethyl-N-[7-(trifluoromethylsulfanyl)quinolin-4-yl]ethane-1,2-diamine
CID 49845733
Benzenesulfonamide, 4-methyl-N-4-quinolinyl-
CID 1380890

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine (CID 103002487) is 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine is Cc1ccc(Sc2ccnc3cc(N)ccc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine?
The InChIKey is VKVACKRUDVVRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-3-5-14(9-12(11)2)20-17-7-8-19-16-10-13(18)4-6-15(16)17/h3-10H,18H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine?
4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine has a molecular weight of 280.40 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfanylquinolin-7-amine is sourced from PubChem (CID 103002487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).