6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide

C20H13F3N2OS — CID 20966316

IUPAC6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3cc2c1
InChIInChI=1S/C20H13F3N2OS/c1-11-5-6-16-12(7-11)8-13-9-17(27-19(13)25-16)18(26)24-15-4-2-3-14(10-15)20(21,22)23/h2-10H,1H3,(H,24,26)
InChIKeyXYFDLLXUJKQSAZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP6.03
Rot. Bonds2

About 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide

6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966316) has the molecular formula C20H13F3N2OS and a molecular weight of 386.40 g/mol. Its IUPAC name is 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966316
Molecular FormulaC20H13F3N2OS
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3cc2c1
InChIInChI=1S/C20H13F3N2OS/c1-11-5-6-16-12(7-11)8-13-9-17(27-19(13)25-16)18(26)24-15-4-2-3-14(10-15)20(21,22)23/h2-10H,1H3,(H,24,26)
InChIKeyXYFDLLXUJKQSAZ-UHFFFAOYSA-N
XLogP6.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966315
N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966485
N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide
CID 1485303
6-methyl-N-(3-methyl-2-pyridinyl)thieno[2,3-b]quinoline-2-carboxamide
CID 20966429
2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 141271063
N-(3-acetylphenyl)-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
CID 86763873
10-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158497
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4615195
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide (CID 20966316) is 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3cc2c1.
What is the InChIKey of 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is XYFDLLXUJKQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2OS/c1-11-5-6-16-12(7-11)8-13-9-17(27-19(13)25-16)18(26)24-15-4-2-3-14(10-15)20(21,22)23/h2-10H,1H3,(H,24,26).
What are the key properties of 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide?
6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).