4-methoxy-2,8-dimethylquinoline-6-carbothioamide

C13H14N2OS — CID 82574299

IUPAC4-methoxy-2,8-dimethylquinoline-6-carbothioamide
SMILESCOc1cc(C)nc2c(C)cc(C(N)=S)cc12
InChIInChI=1S/C13H14N2OS/c1-7-4-9(13(14)17)6-10-11(16-3)5-8(2)15-12(7)10/h4-6H,1-3H3,(H2,14,17)
InChIKeyAAGSSFQVRWMHIY-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.49
Rot. Bonds2

About 4-methoxy-2,8-dimethylquinoline-6-carbothioamide

4-methoxy-2,8-dimethylquinoline-6-carbothioamide (PubChem CID 82574299) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-methoxy-2,8-dimethylquinoline-6-carbothioamide.

Molecular Properties

Compound Name4-methoxy-2,8-dimethylquinoline-6-carbothioamide
PubChem CID82574299
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name4-methoxy-2,8-dimethylquinoline-6-carbothioamide
SMILESCOc1cc(C)nc2c(C)cc(C(N)=S)cc12
InChIInChI=1S/C13H14N2OS/c1-7-4-9(13(14)17)6-10-11(16-3)5-8(2)15-12(7)10/h4-6H,1-3H3,(H2,14,17)
InChIKeyAAGSSFQVRWMHIY-UHFFFAOYSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.49
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

1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone
CID 82576288
3-(4-methoxy-2,8-dimethylquinolin-6-yl)-2-methylpropan-1-amine
CID 82576928
2-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)acetamide
CID 82575448
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
4-methoxy-2-methylquinolin-8-ol
CID 18321891
2-(4-methoxy-2,6-dimethylquinolin-8-yl)acetic acid
CID 82575003
5,6-dimethoxy-2,4-dimethylquinolin-8-amine
CID 612479
8-methoxy-2,4-dimethylquinoline-5-carboxamide
CID 82573973
ethyl 4,8-diethoxy-2-methylquinoline-6-carboxylate
CID 86685267
6,8-dimethoxy-4-methylquinoline-2-carbothioamide
CID 82574234
2-(N,2-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767560
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,8-dimethylquinoline-6-carbothioamide?
The IUPAC name of 4-methoxy-2,8-dimethylquinoline-6-carbothioamide (CID 82574299) is 4-methoxy-2,8-dimethylquinoline-6-carbothioamide.
What is the SMILES notation for 4-methoxy-2,8-dimethylquinoline-6-carbothioamide?
The canonical SMILES for 4-methoxy-2,8-dimethylquinoline-6-carbothioamide is COc1cc(C)nc2c(C)cc(C(N)=S)cc12.
What is the InChIKey of 4-methoxy-2,8-dimethylquinoline-6-carbothioamide?
The InChIKey is AAGSSFQVRWMHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-7-4-9(13(14)17)6-10-11(16-3)5-8(2)15-12(7)10/h4-6H,1-3H3,(H2,14,17).
What are the key properties of 4-methoxy-2,8-dimethylquinoline-6-carbothioamide?
4-methoxy-2,8-dimethylquinoline-6-carbothioamide has a molecular weight of 246.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,8-dimethylquinoline-6-carbothioamide is sourced from PubChem (CID 82574299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).