1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid

C19H20FN3O3S — CID 14023658

IUPAC1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid
SMILESCCCNCc1nc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)cs1
InChIInChI=1S/C19H20FN3O3S/c1-3-5-21-8-17-22-15(10-27-17)11-7-16-12(6-14(11)20)18(24)13(19(25)26)9-23(16)4-2/h6-7,9-10,21H,3-5,8H2,1-2H3,(H,25,26)
InChIKeyHWDSHYSCPYDXDX-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.48
Rot. Bonds7

About 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid

1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid (PubChem CID 14023658) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid
PubChem CID14023658
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid
SMILESCCCNCc1nc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)cs1
InChIInChI=1S/C19H20FN3O3S/c1-3-5-21-8-17-22-15(10-27-17)11-7-16-12(6-14(11)20)18(24)13(19(25)26)9-23(16)4-2/h6-7,9-10,21H,3-5,8H2,1-2H3,(H,25,26)
InChIKeyHWDSHYSCPYDXDX-UHFFFAOYSA-N
XLogP3.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10831805
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129516
1-ethyl-6-fluoro-4-oxo-7-[2-(2-oxoethylamino)ethylamino]quinoline-3-carboxylic acid
CID 170455415
7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10989497
1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid
CID 14023666
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
1-ethyl-6-fluoro-4-oxo-7-(2H-pyrazin-1-yl)quinoline-3-carboxylic acid
CID 71656979
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
CID 173371449
7-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 59822007

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid (CID 14023658) is 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid is CCCNCc1nc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)cs1.
What is the InChIKey of 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid?
The InChIKey is HWDSHYSCPYDXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-3-5-21-8-17-22-15(10-27-17)11-7-16-12(6-14(11)20)18(24)13(19(25)26)9-23(16)4-2/h6-7,9-10,21H,3-5,8H2,1-2H3,(H,25,26).
What are the key properties of 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid?
1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 14023658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).