2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine

C15H19ClN2S — CID 112663634

IUPAC2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
SMILESCSCC(C)N(C)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C15H19ClN2S/c1-11(10-19-3)18(2)15-8-12(9-16)17-14-7-5-4-6-13(14)15/h4-8,11H,9-10H2,1-3H3
InChIKeySXROZVKNQMIKJM-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.16
Rot. Bonds5

About 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine

2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine (PubChem CID 112663634) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
PubChem CID112663634
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
SMILESCSCC(C)N(C)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C15H19ClN2S/c1-11(10-19-3)18(2)15-8-12(9-16)17-14-7-5-4-6-13(14)15/h4-8,11H,9-10H2,1-3H3
InChIKeySXROZVKNQMIKJM-UHFFFAOYSA-N
XLogP4.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine (CID 112663634) is 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine is CSCC(C)N(C)c1cc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
The InChIKey is SXROZVKNQMIKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11(10-19-3)18(2)15-8-12(9-16)17-14-7-5-4-6-13(14)15/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine?
2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine has a molecular weight of 294.85 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine is sourced from PubChem (CID 112663634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).