2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C23H15N3O2S — CID 44631811

IUPAC2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H15N3O2S/c27-22(26-23-24-14-21(29-23)15-7-2-1-3-8-15)17-13-19(20-11-6-12-28-20)25-18-10-5-4-9-16(17)18/h1-14H,(H,24,26,27)
InChIKeyKDIIXSVEIBDSGI-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.87
Rot. Bonds4

About 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 44631811) has the molecular formula C23H15N3O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID44631811
Molecular FormulaC23H15N3O2S
Molecular Weight397.46 g/mol
Exact Mass397.09
IUPAC Name2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H15N3O2S/c27-22(26-23-24-14-21(29-23)15-7-2-1-3-8-15)17-13-19(20-11-6-12-28-20)25-18-10-5-4-9-16(17)18/h1-14H,(H,24,26,27)
InChIKeyKDIIXSVEIBDSGI-UHFFFAOYSA-N
XLogP5.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 44631811) is 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1ncc(-c2ccccc2)s1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is KDIIXSVEIBDSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2S/c27-22(26-23-24-14-21(29-23)15-7-2-1-3-8-15)17-13-19(20-11-6-12-28-20)25-18-10-5-4-9-16(17)18/h1-14H,(H,24,26,27).
What are the key properties of 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(5-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 44631811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).