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6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide

C23H17N3O2S — CID 118274003

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCCc4cccs4)ccc3c2)cc1
InChIInChI=1S/C23H17N3O2S/c24-15-16-3-6-18(7-4-16)28-19-8-10-21-17(14-19)5-9-22(26-21)23(27)25-12-11-20-2-1-13-29-20/h1-10,13-14H,11-12H2,(H,25,27)
InChIKeyHCIZGPRJFBNOIT-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.93
Rot. Bonds6

About 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide

6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide (PubChem CID 118274003) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide
PubChem CID118274003
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCCc4cccs4)ccc3c2)cc1
InChIInChI=1S/C23H17N3O2S/c24-15-16-3-6-18(7-4-16)28-19-8-10-21-17(14-19)5-9-22(26-21)23(27)25-12-11-20-2-1-13-29-20/h1-10,13-14H,11-12H2,(H,25,27)
InChIKeyHCIZGPRJFBNOIT-UHFFFAOYSA-N
XLogP4.93
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide?
The IUPAC name of 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide (CID 118274003) is 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide is N#Cc1ccc(Oc2ccc3nc(C(=O)NCCc4cccs4)ccc3c2)cc1.
What is the InChIKey of 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide?
The InChIKey is HCIZGPRJFBNOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c24-15-16-3-6-18(7-4-16)28-19-8-10-21-17(14-19)5-9-22(26-21)23(27)25-12-11-20-2-1-13-29-20/h1-10,13-14H,11-12H2,(H,25,27).
What are the key properties of 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide?
6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenoxy)-N-(2-thiophen-2-ylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 118274003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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