6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

C21H20FN3O3S — CID 110238252

IUPAC6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)s1
InChIInChI=1S/C21H20FN3O3S/c1-28-18-7-6-17(29-18)21(27)25-8-2-3-12(11-25)19-15(20(23)26)10-13-9-14(22)4-5-16(13)24-19/h4-7,9-10,12H,2-3,8,11H2,1H3,(H2,23,26)
InChIKeyWTYYNTSUTWXPRF-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.56
Rot. Bonds4

About 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238252) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238252
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)s1
InChIInChI=1S/C21H20FN3O3S/c1-28-18-7-6-17(29-18)21(27)25-8-2-3-12(11-25)19-15(20(23)26)10-13-9-14(22)4-5-16(13)24-19/h4-7,9-10,12H,2-3,8,11H2,1H3,(H2,23,26)
InChIKeyWTYYNTSUTWXPRF-UHFFFAOYSA-N
XLogP3.56
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238135
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238250
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238278
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238288
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238205
[(3S)-3-isoquinolin-3-ylpiperidin-1-yl]-(5-methoxythiophen-2-yl)methanone
CID 92598369
6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238201
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (CID 110238252) is 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is COc1ccc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)s1.
What is the InChIKey of 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is WTYYNTSUTWXPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-28-18-7-6-17(29-18)21(27)25-8-2-3-12(11-25)19-15(20(23)26)10-13-9-14(22)4-5-16(13)24-19/h4-7,9-10,12H,2-3,8,11H2,1H3,(H2,23,26).
What are the key properties of 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).