N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide

C19H11F2N3O2S — CID 7901254

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H11F2N3O2S/c20-13-6-5-10(7-14(13)21)16-9-27-19(23-16)24-18(26)12-8-17(25)22-15-4-2-1-3-11(12)15/h1-9H,(H,22,25)(H,23,24,26)
InChIKeyYYJOLJZNMWZQJV-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.18
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 7901254) has the molecular formula C19H11F2N3O2S and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID7901254
Molecular FormulaC19H11F2N3O2S
Molecular Weight383.38 g/mol
Exact Mass383.05
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H11F2N3O2S/c20-13-6-5-10(7-14(13)21)16-9-27-19(23-16)24-18(26)12-8-17(25)22-15-4-2-1-3-11(12)15/h1-9H,(H,22,25)(H,23,24,26)
InChIKeyYYJOLJZNMWZQJV-UHFFFAOYSA-N
XLogP4.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 55468616
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 8801292
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 7901254) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is YYJOLJZNMWZQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O2S/c20-13-6-5-10(7-14(13)21)16-9-27-19(23-16)24-18(26)12-8-17(25)22-15-4-2-1-3-11(12)15/h1-9H,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7901254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).