N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride

C18H19ClN2OS — CID 119547336

IUPACN-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCCN2)C1CSc2ccccc21
InChIInChI=1S/C18H18N2OS.ClH/c21-18(15-11-22-17-6-2-1-5-14(15)17)20-13-7-8-16-12(10-13)4-3-9-19-16;/h1-2,5-8,10,15,19H,3-4,9,11H2,(H,20,21);1H
InChIKeyAMEPLKYZUYUCDJ-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.29
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride

N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 119547336) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID119547336
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCCN2)C1CSc2ccccc21
InChIInChI=1S/C18H18N2OS.ClH/c21-18(15-11-22-17-6-2-1-5-14(15)17)20-13-7-8-16-12(10-13)4-3-9-19-16;/h1-2,5-8,10,15,19H,3-4,9,11H2,(H,20,21);1H
InChIKeyAMEPLKYZUYUCDJ-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 119547205
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767021
N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993497
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-6-yl)urea
CID 62698159
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxane-3-carboxamide
CID 63012221
N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81479241
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride (CID 119547336) is N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CCCN2)C1CSc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is AMEPLKYZUYUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS.ClH/c21-18(15-11-22-17-6-2-1-5-14(15)17)20-13-7-8-16-12(10-13)4-3-9-19-16;/h1-2,5-8,10,15,19H,3-4,9,11H2,(H,20,21);1H.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride?
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119547336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).