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

C21H16FN3O2S — CID 39850819

IUPAC1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C21H16FN3O2S/c1-2-25-11-16(19(26)15-10-14(22)8-9-18(15)25)20(27)24-21-23-17(12-28-21)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,24,27)
InChIKeyQALGSTHARDBXIC-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.54
Rot. Bonds4

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

1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide (PubChem CID 39850819) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
PubChem CID39850819
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C21H16FN3O2S/c1-2-25-11-16(19(26)15-10-14(22)8-9-18(15)25)20(27)24-21-23-17(12-28-21)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,24,27)
InChIKeyQALGSTHARDBXIC-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 39850839
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N,1-diethyl-6-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-4-oxoquinoline-3-carboxamide
CID 59415831
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 39851051
1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid
CID 14023666
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide (CID 39850819) is 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide is CCn1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is QALGSTHARDBXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-2-25-11-16(19(26)15-10-14(22)8-9-18(15)25)20(27)24-21-23-17(12-28-21)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,23,24,27).
What are the key properties of 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 39850819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).