N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide

C17H16FN3O2S — CID 77085775

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)sc1C
InChIInChI=1S/C17H16FN3O2S/c1-9-10(2)24-16(20-9)5-6-19-17(23)13-8-15(22)21-14-4-3-11(18)7-12(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyDCKNBLHPFUHFAH-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 77085775) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
PubChem CID77085775
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)sc1C
InChIInChI=1S/C17H16FN3O2S/c1-9-10(2)24-16(20-9)5-6-19-17(23)13-8-15(22)21-14-4-3-11(18)7-12(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyDCKNBLHPFUHFAH-UHFFFAOYSA-N
XLogP2.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 91780401
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 86286424
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide
CID 52860990
5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120647219
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91795880
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 30600917
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746492
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42575034
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide (CID 77085775) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide is Cc1nc(CCNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is DCKNBLHPFUHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-9-10(2)24-16(20-9)5-6-19-17(23)13-8-15(22)21-14-4-3-11(18)7-12(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 77085775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).