6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine

C14H18BrN3S — CID 63981205

IUPAC6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
SMILESCSCC(C)CNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3S/c1-9(8-19-2)6-18-14-11-5-10(15)3-4-13(11)17-7-12(14)16/h3-5,7,9H,6,8,16H2,1-2H3,(H,17,18)
InChIKeyXTNWGTAVQFBZJV-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.99
Rot. Bonds5

About 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine

6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine (PubChem CID 63981205) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
PubChem CID63981205
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
SMILESCSCC(C)CNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3S/c1-9(8-19-2)6-18-14-11-5-10(15)3-4-13(11)17-7-12(14)16/h3-5,7,9H,6,8,16H2,1-2H3,(H,17,18)
InChIKeyXTNWGTAVQFBZJV-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
6-bromo-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinoline-3,4-diamine
CID 61282549
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
CID 43621318
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009
6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine
CID 60915273
6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine (CID 63981205) is 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine is CSCC(C)CNc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine?
The InChIKey is XTNWGTAVQFBZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-9(8-19-2)6-18-14-11-5-10(15)3-4-13(11)17-7-12(14)16/h3-5,7,9H,6,8,16H2,1-2H3,(H,17,18).
What are the key properties of 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine?
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine has a molecular weight of 340.29 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine is sourced from PubChem (CID 63981205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).