3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide

C18H10ClFN2OS — CID 26123631

IUPAC3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C18H10ClFN2OS/c19-15-12-7-6-11(20)9-14(12)24-17(15)18(23)22-13-5-1-3-10-4-2-8-21-16(10)13/h1-9H,(H,22,23)
InChIKeyFYPJDOLBLWNWGK-UHFFFAOYSA-N
MW356.81 g/mol
LogP5.49
Rot. Bonds2

About 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide (PubChem CID 26123631) has the molecular formula C18H10ClFN2OS and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
PubChem CID26123631
Molecular FormulaC18H10ClFN2OS
Molecular Weight356.81 g/mol
Exact Mass356.02
IUPAC Name3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C18H10ClFN2OS/c19-15-12-7-6-11(20)9-14(12)24-17(15)18(23)22-13-5-1-3-10-4-2-8-21-16(10)13/h1-9H,(H,22,23)
InChIKeyFYPJDOLBLWNWGK-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.81
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-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

3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3-chloro-6-fluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-benzothiophene-2-carboxamide
CID 48666618
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16546479
3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
CID 3114628
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
5-fluoro-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 113205746
3-chloro-6-fluoro-N-(2-hydroxy-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16573611
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 8001748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide (CID 26123631) is 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide is O=C(Nc1cccc2cccnc12)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide?
The InChIKey is FYPJDOLBLWNWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2OS/c19-15-12-7-6-11(20)9-14(12)24-17(15)18(23)22-13-5-1-3-10-4-2-8-21-16(10)13/h1-9H,(H,22,23).
What are the key properties of 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26123631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).