2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide

C15H18N2OS — CID 82574279

IUPAC2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide
SMILESCc1cc(C(N)=S)c2cc(OC(C)(C)C)ccc2n1
InChIInChI=1S/C15H18N2OS/c1-9-7-12(14(16)19)11-8-10(18-15(2,3)4)5-6-13(11)17-9/h5-8H,1-4H3,(H2,16,19)
InChIKeyZCKBWLJAACFHKW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.35
Rot. Bonds2

About 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide

2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide (PubChem CID 82574279) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide
PubChem CID82574279
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide
SMILESCc1cc(C(N)=S)c2cc(OC(C)(C)C)ccc2n1
InChIInChI=1S/C15H18N2OS/c1-9-7-12(14(16)19)11-8-10(18-15(2,3)4)5-6-13(11)17-9/h5-8H,1-4H3,(H2,16,19)
InChIKeyZCKBWLJAACFHKW-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylmethoxyquinoline-4-carbothioamide
CID 82574282
4-[2-methyl-6-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]butan-1-amine
CID 82577822
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline
CID 82581132
6-iodo-2-methylquinoline-4-carboxamide
CID 12511256
2-(6-methoxy-2-methylquinolin-4-yl)propan-2-ol
CID 82449762
6-methyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82448167
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
ethyl (E)-3-[2-methyl-6-(trifluoromethoxy)quinolin-4-yl]prop-2-enoate
CID 82580049
2-tert-butyl-6,7-dimethylquinoline-4-carbothioamide
CID 82448781
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide?
The IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide (CID 82574279) is 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide is Cc1cc(C(N)=S)c2cc(OC(C)(C)C)ccc2n1.
What is the InChIKey of 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide?
The InChIKey is ZCKBWLJAACFHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-7-12(14(16)19)11-8-10(18-15(2,3)4)5-6-13(11)17-9/h5-8H,1-4H3,(H2,16,19).
What are the key properties of 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide?
2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide has a molecular weight of 274.39 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide is sourced from PubChem (CID 82574279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).