4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine

C16H15N3S — CID 107643533

IUPAC4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine
SMILESCSc1ccccc1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C16H15N3S/c1-20-15-9-5-4-8-14(15)19-16-11-6-2-3-7-13(11)18-10-12(16)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyJMPBVNDSRIPFKQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.28
Rot. Bonds3

About 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine

4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine (PubChem CID 107643533) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine
PubChem CID107643533
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine
SMILESCSc1ccccc1Nc1c(N)cnc2ccccc12
InChIInChI=1S/C16H15N3S/c1-20-15-9-5-4-8-14(15)19-16-11-6-2-3-7-13(11)18-10-12(16)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyJMPBVNDSRIPFKQ-UHFFFAOYSA-N
XLogP4.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3,5-trifluorophenyl)quinoline-3,4-diamine
CID 103963244
4-N-(2-chloro-5-methylphenyl)quinoline-3,4-diamine
CID 107634067
4-N-(3-fluoro-5-methylphenyl)quinoline-3,4-diamine
CID 103963436
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine
CID 107606277
4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
CID 103963431
4-N-(2-methylsulfanylphenyl)pyrimidine-4,5-diamine
CID 107643432
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
CID 103963515
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine (CID 107643533) is 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine is CSc1ccccc1Nc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine?
The InChIKey is JMPBVNDSRIPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-20-15-9-5-4-8-14(15)19-16-11-6-2-3-7-13(11)18-10-12(16)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine?
4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine has a molecular weight of 281.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine is sourced from PubChem (CID 107643533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).