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

C17H16FN3O3S — CID 91780401

IUPAC6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)s1
InChIInChI=1S/C17H16FN3O3S/c1-9-14(25-16(20-9)8-24-2)7-19-17(23)12-6-15(22)21-13-4-3-10(18)5-11(12)13/h3-6H,7-8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyJIYKDBSGYMGNDC-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.51
Rot. Bonds5

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

6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 91780401) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID91780401
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)s1
InChIInChI=1S/C17H16FN3O3S/c1-9-14(25-16(20-9)8-24-2)7-19-17(23)12-6-15(22)21-13-4-3-10(18)5-11(12)13/h3-6H,7-8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyJIYKDBSGYMGNDC-UHFFFAOYSA-N
XLogP2.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 91780401) is 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide is COCc1nc(C)c(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)s1.
What is the InChIKey of 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JIYKDBSGYMGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-9-14(25-16(20-9)8-24-2)7-19-17(23)12-6-15(22)21-13-4-3-10(18)5-11(12)13/h3-6H,7-8H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 91780401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).