N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

C22H15N3O2S — CID 55800284

IUPACN-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C22H15N3O2S/c23-10-11-27-16-6-3-5-15(13-16)24-22(26)18-14-20(21-9-4-12-28-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,11H2,(H,24,26)
InChIKeyZIEKJXDWLPGLDB-UHFFFAOYSA-N
MW385.45 g/mol
LogP5.12
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 55800284) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID55800284
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C22H15N3O2S/c23-10-11-27-16-6-3-5-15(13-16)24-22(26)18-14-20(21-9-4-12-28-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,11H2,(H,24,26)
InChIKeyZIEKJXDWLPGLDB-UHFFFAOYSA-N
XLogP5.12
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide
CID 15997152
2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865965
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23766266
N-[3-(3-cyanopropoxy)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55879220
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[4-nitro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3584085
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 55800284) is N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is N#CCOc1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is ZIEKJXDWLPGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c23-10-11-27-16-6-3-5-15(13-16)24-22(26)18-14-20(21-9-4-12-28-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,11H2,(H,24,26).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 55800284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).