8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

C20H13F2N3OS — CID 89034090

IUPAC8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cccc(-c3cccc(C(F)F)c3)c2n1
InChIInChI=1S/C20H13F2N3OS/c21-18(22)14-5-1-4-13(11-14)15-6-2-3-12-7-8-16(24-17(12)15)19(26)25-20-23-9-10-27-20/h1-11,18H,(H,23,25,26)
InChIKeySIJOLJWWYGWFDI-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.55
Rot. Bonds4

About 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 89034090) has the molecular formula C20H13F2N3OS and a molecular weight of 381.41 g/mol. Its IUPAC name is 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID89034090
Molecular FormulaC20H13F2N3OS
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC Name8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cccc(-c3cccc(C(F)F)c3)c2n1
InChIInChI=1S/C20H13F2N3OS/c21-18(22)14-5-1-4-13(11-14)15-6-2-3-12-7-8-16(24-17(12)15)19(26)25-20-23-9-10-27-20/h1-11,18H,(H,23,25,26)
InChIKeySIJOLJWWYGWFDI-UHFFFAOYSA-N
XLogP5.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 89034090) is 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is O=C(Nc1nccs1)c1ccc2cccc(-c3cccc(C(F)F)c3)c2n1.
What is the InChIKey of 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is SIJOLJWWYGWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3OS/c21-18(22)14-5-1-4-13(11-14)15-6-2-3-12-7-8-16(24-17(12)15)19(26)25-20-23-9-10-27-20/h1-11,18H,(H,23,25,26).
What are the key properties of 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 89034090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).