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

C22H15N3O2S — CID 118273540

IUPAC6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCc4cccs4)ccc3c2)cc1
InChIInChI=1S/C22H15N3O2S/c23-13-15-3-6-17(7-4-15)27-18-8-10-20-16(12-18)5-9-21(25-20)22(26)24-14-19-2-1-11-28-19/h1-12H,14H2,(H,24,26)
InChIKeyAQBLTHGSWKEAFQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.89
Rot. Bonds5

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

6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 118273540) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
PubChem CID118273540
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC Name6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)NCc4cccs4)ccc3c2)cc1
InChIInChI=1S/C22H15N3O2S/c23-13-15-3-6-17(7-4-15)27-18-8-10-20-16(12-18)5-9-21(25-20)22(26)24-14-19-2-1-11-28-19/h1-12H,14H2,(H,24,26)
InChIKeyAQBLTHGSWKEAFQ-UHFFFAOYSA-N
XLogP4.89
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.89
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-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (CID 118273540) is 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide is N#Cc1ccc(Oc2ccc3nc(C(=O)NCc4cccs4)ccc3c2)cc1.
What is the InChIKey of 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is AQBLTHGSWKEAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c23-13-15-3-6-17(7-4-15)27-18-8-10-20-16(12-18)5-9-21(25-20)22(26)24-14-19-2-1-11-28-19/h1-12H,14H2,(H,24,26).
What are the key properties of 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 118273540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).