N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C18H16N2OS — CID 748480

IUPACN-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1csc2c1CCCC2
InChIInChI=1S/C18H16N2OS/c21-18(14-11-22-17-9-2-1-5-12(14)17)20-16-8-3-7-15-13(16)6-4-10-19-15/h3-4,6-8,10-11H,1-2,5,9H2,(H,20,21)
InChIKeyVKJWLSVSDSWCIN-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.43
Rot. Bonds2

About N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 748480) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID748480
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1csc2c1CCCC2
InChIInChI=1S/C18H16N2OS/c21-18(14-11-22-17-9-2-1-5-12(14)17)20-16-8-3-7-15-13(16)6-4-10-19-15/h3-4,6-8,10-11H,1-2,5,9H2,(H,20,21)
InChIKeyVKJWLSVSDSWCIN-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 748480) is N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(Nc1cccc2ncccc12)c1csc2c1CCCC2.
What is the InChIKey of N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is VKJWLSVSDSWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-18(14-11-22-17-9-2-1-5-12(14)17)20-16-8-3-7-15-13(16)6-4-10-19-15/h3-4,6-8,10-11H,1-2,5,9H2,(H,20,21).
What are the key properties of N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-5-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 748480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).