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

C14H10FN3O2S — CID 17028163

IUPAC6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1csc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)n1
InChIInChI=1S/C14H10FN3O2S/c1-7-6-21-14(17-7)18-13(20)10-5-16-11-3-2-8(15)4-9(11)12(10)19/h2-6H,1H3,(H,16,19)(H,17,18,20)
InChIKeyWALILEQQQJQMAZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.68
Rot. Bonds2

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

6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 17028163) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID17028163
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1csc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)n1
InChIInChI=1S/C14H10FN3O2S/c1-7-6-21-14(17-7)18-13(20)10-5-16-11-3-2-8(15)4-9(11)12(10)19/h2-6H,1H3,(H,16,19)(H,17,18,20)
InChIKeyWALILEQQQJQMAZ-UHFFFAOYSA-N
XLogP2.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 51052517
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
4-(4-fluorophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820774
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016316
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 60815660
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 53245935

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 17028163) is 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide is Cc1csc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)n1.
What is the InChIKey of 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WALILEQQQJQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c1-7-6-21-14(17-7)18-13(20)10-5-16-11-3-2-8(15)4-9(11)12(10)19/h2-6H,1H3,(H,16,19)(H,17,18,20).
What are the key properties of 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17028163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).