N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C17H18N2OS — CID 106901165

IUPACN-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CNc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2OS/c1-21-15-8-6-14(7-9-15)19-17(20)13-10-12-4-2-3-5-16(12)18-11-13/h2-9,13,18H,10-11H2,1H3,(H,19,20)
InChIKeyGQLTVRJRNBQWRW-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.63
Rot. Bonds3

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

N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901165) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901165
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CNc3ccccc3C2)cc1
InChIInChI=1S/C17H18N2OS/c1-21-15-8-6-14(7-9-15)19-17(20)13-10-12-4-2-3-5-16(12)18-11-13/h2-9,13,18H,10-11H2,1H3,(H,19,20)
InChIKeyGQLTVRJRNBQWRW-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901584
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901173
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901161
N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(2-bromo-4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901205
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901165) is N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is CSc1ccc(NC(=O)C2CNc3ccccc3C2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is GQLTVRJRNBQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-21-15-8-6-14(7-9-15)19-17(20)13-10-12-4-2-3-5-16(12)18-11-13/h2-9,13,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).