4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide

C13H14FN3S — CID 82574312

IUPAC4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide
SMILESCc1cc(N(C)C)c2cc(F)cc(C(N)=S)c2n1
InChIInChI=1S/C13H14FN3S/c1-7-4-11(17(2)3)9-5-8(14)6-10(13(15)18)12(9)16-7/h4-6H,1-3H3,(H2,15,18)
InChIKeyIKJOUWDOKAAILK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds2

About 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide

4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide (PubChem CID 82574312) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide.

Molecular Properties

Compound Name4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide
PubChem CID82574312
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide
SMILESCc1cc(N(C)C)c2cc(F)cc(C(N)=S)c2n1
InChIInChI=1S/C13H14FN3S/c1-7-4-11(17(2)3)9-5-8(14)6-10(13(15)18)12(9)16-7/h4-6H,1-3H3,(H2,15,18)
InChIKeyIKJOUWDOKAAILK-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
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

6-chloro-2,4-dimethylquinoline-8-carbothioamide
CID 82574189
2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid
CID 82575012
4-(dimethylamino)-2,8-dimethylquinoline-6-carboxylic acid
CID 82574834
4-(4-fluoro-N-methylanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054556
6-(2-amino-2-methylpropyl)-N,N,2,8-tetramethylquinolin-4-amine
CID 82577393
4-(dimethylamino)-2,8-dimethylquinoline-6-carbonitrile
CID 82573342
6-(3-aminopropyl)-N,N,2,8-tetramethylquinolin-4-amine
CID 82576710
6-fluoro-2,8-dimethylquinolin-4-amine
CID 54772876
6-fluoro-2-methyl-4-[(2,3,6-trichlorophenyl)methylamino]quinoline-8-carboxamide
CID 91827499
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
CID 63672665
6-(3-amino-2,2-dimethylpropyl)-N,N,2,8-tetramethylquinolin-4-amine
CID 82577158
6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide?
The IUPAC name of 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide (CID 82574312) is 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide.
What is the SMILES notation for 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide?
The canonical SMILES for 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide is Cc1cc(N(C)C)c2cc(F)cc(C(N)=S)c2n1.
What is the InChIKey of 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide?
The InChIKey is IKJOUWDOKAAILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-7-4-11(17(2)3)9-5-8(14)6-10(13(15)18)12(9)16-7/h4-6H,1-3H3,(H2,15,18).
What are the key properties of 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide?
4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide has a molecular weight of 263.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-fluoro-2-methylquinoline-8-carbothioamide is sourced from PubChem (CID 82574312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).