N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C15H16N2OS — CID 47125506

IUPACN-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCCc2ccccc21
InChIInChI=1S/C15H16N2OS/c18-15(16-11-13-7-4-10-19-13)17-9-3-6-12-5-1-2-8-14(12)17/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,16,18)
InChIKeyJSTCTXSXDXOKGQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.41
Rot. Bonds2

About N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 47125506) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID47125506
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCCc2ccccc21
InChIInChI=1S/C15H16N2OS/c18-15(16-11-13-7-4-10-19-13)17-9-3-6-12-5-1-2-8-14(12)17/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,16,18)
InChIKeyJSTCTXSXDXOKGQ-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 51111336
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 49110751
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258434
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113213261
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9401579
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
CID 7657511
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 47125506) is N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NCc1cccs1)N1CCCc2ccccc21.
What is the InChIKey of N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is JSTCTXSXDXOKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(16-11-13-7-4-10-19-13)17-9-3-6-12-5-1-2-8-14(12)17/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,16,18).
What are the key properties of N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 47125506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).