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

C16H14FN3O3S — CID 74237743

IUPAC6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(c1c[nH]c2ccc(F)cc2c1=O)N(CCO)Cc1nccs1
InChIInChI=1S/C16H14FN3O3S/c17-10-1-2-13-11(7-10)15(22)12(8-19-13)16(23)20(4-5-21)9-14-18-3-6-24-14/h1-3,6-8,21H,4-5,9H2,(H,19,22)
InChIKeyDYZPYRIHAQVALF-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.76
Rot. Bonds5

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

6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 74237743) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID74237743
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(c1c[nH]c2ccc(F)cc2c1=O)N(CCO)Cc1nccs1
InChIInChI=1S/C16H14FN3O3S/c17-10-1-2-13-11(7-10)15(22)12(8-19-13)16(23)20(4-5-21)9-14-18-3-6-24-14/h1-3,6-8,21H,4-5,9H2,(H,19,22)
InChIKeyDYZPYRIHAQVALF-UHFFFAOYSA-N
XLogP1.76
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-fluoro-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 74242682
N-cyclopropyl-5-fluoro-3-methyl-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
CID 119071571
N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77089569
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70536916
6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 17028163
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide (CID 74237743) is 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide is O=C(c1c[nH]c2ccc(F)cc2c1=O)N(CCO)Cc1nccs1.
What is the InChIKey of 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is DYZPYRIHAQVALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c17-10-1-2-13-11(7-10)15(22)12(8-19-13)16(23)20(4-5-21)9-14-18-3-6-24-14/h1-3,6-8,21H,4-5,9H2,(H,19,22).
What are the key properties of 6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide?
6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 1.76, 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-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 74237743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).