N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C15H16N2OS — CID 106901469

IUPACN-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCc1ccsc1)C1CNc2ccccc2C1
InChIInChI=1S/C15H16N2OS/c18-15(17-8-11-5-6-19-10-11)13-7-12-3-1-2-4-14(12)16-9-13/h1-6,10,13,16H,7-9H2,(H,17,18)
InChIKeyZZBZUTSUAFKULK-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.65
Rot. Bonds3

About N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901469) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901469
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCc1ccsc1)C1CNc2ccccc2C1
InChIInChI=1S/C15H16N2OS/c18-15(17-8-11-5-6-19-10-11)13-7-12-3-1-2-4-14(12)16-9-13/h1-6,10,13,16H,7-9H2,(H,17,18)
InChIKeyZZBZUTSUAFKULK-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901620
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901391
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901469) is N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NCc1ccsc1)C1CNc2ccccc2C1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is ZZBZUTSUAFKULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(17-8-11-5-6-19-10-11)13-7-12-3-1-2-4-14(12)16-9-13/h1-6,10,13,16H,7-9H2,(H,17,18).
What are the key properties of N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).