N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine

C15H15F3N2O2S — CID 134699646

IUPACN-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(NC2CCS(=O)(=O)C2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H15F3N2O2S/c1-9-6-14(20-11-4-5-23(21,22)8-11)12-7-10(15(16,17)18)2-3-13(12)19-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,19,20)
InChIKeyGJPUMXBPARDXLZ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.16
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine

N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine (PubChem CID 134699646) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine
PubChem CID134699646
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(NC2CCS(=O)(=O)C2)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H15F3N2O2S/c1-9-6-14(20-11-4-5-23(21,22)8-11)12-7-10(15(16,17)18)2-3-13(12)19-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,19,20)
InChIKeyGJPUMXBPARDXLZ-UHFFFAOYSA-N
XLogP3.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine (CID 134699646) is N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine is Cc1cc(NC2CCS(=O)(=O)C2)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine?
The InChIKey is GJPUMXBPARDXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-9-6-14(20-11-4-5-23(21,22)8-11)12-7-10(15(16,17)18)2-3-13(12)19-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,19,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine?
N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine has a molecular weight of 344.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 134699646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).