6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide

C20H14FN3O2S — CID 154861329

IUPAC6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1nccs1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H14FN3O2S/c21-13-6-7-16-14(10-13)15(11-17(25)23-16)19(26)24-18(20-22-8-9-27-20)12-4-2-1-3-5-12/h1-11,18H,(H,23,25)(H,24,26)
InChIKeyVXLXAVMCKOHOMT-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.64
Rot. Bonds4

About 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide

6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide (PubChem CID 154861329) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide
PubChem CID154861329
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1nccs1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H14FN3O2S/c21-13-6-7-16-14(10-13)15(11-17(25)23-16)19(26)24-18(20-22-8-9-27-20)12-4-2-1-3-5-12/h1-11,18H,(H,23,25)(H,24,26)
InChIKeyVXLXAVMCKOHOMT-UHFFFAOYSA-N
XLogP3.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide (CID 154861329) is 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide is O=C(NC(c1ccccc1)c1nccs1)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide?
The InChIKey is VXLXAVMCKOHOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-13-6-7-16-14(10-13)15(11-17(25)23-16)19(26)24-18(20-22-8-9-27-20)12-4-2-1-3-5-12/h1-11,18H,(H,23,25)(H,24,26).
What are the key properties of 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide?
6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 154861329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).