4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide

C21H13N3O2S — CID 166187393

IUPAC4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
SMILESN#Cc1cscc1C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C21H13N3O2S/c22-11-14-12-27-13-18(14)21(25)24-15-4-3-5-16(10-15)26-20-8-9-23-19-7-2-1-6-17(19)20/h1-10,12-13H,(H,24,25)
InChIKeyLXNFPAKFINHFTH-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.21
Rot. Bonds4

About 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide

4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide (PubChem CID 166187393) has the molecular formula C21H13N3O2S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
PubChem CID166187393
Molecular FormulaC21H13N3O2S
Molecular Weight371.42 g/mol
Exact Mass371.07
IUPAC Name4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
SMILESN#Cc1cscc1C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C21H13N3O2S/c22-11-14-12-27-13-18(14)21(25)24-15-4-3-5-16(10-15)26-20-8-9-23-19-7-2-1-6-17(19)20/h1-10,12-13H,(H,24,25)
InChIKeyLXNFPAKFINHFTH-UHFFFAOYSA-N
XLogP5.21
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide?
The IUPAC name of 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide (CID 166187393) is 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide is N#Cc1cscc1C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide?
The InChIKey is LXNFPAKFINHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2S/c22-11-14-12-27-13-18(14)21(25)24-15-4-3-5-16(10-15)26-20-8-9-23-19-7-2-1-6-17(19)20/h1-10,12-13H,(H,24,25).
What are the key properties of 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide?
4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 166187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).