N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

C17H16FN3O2S — CID 110674032

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)sc1C
InChIInChI=1S/C17H16FN3O2S/c1-9-10(2)24-17(19-9)21-15(22)6-4-12-7-11-3-5-13(18)8-14(11)20-16(12)23/h3,5,7-8H,4,6H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyACJSAWVQHZVUAS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.31
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110674032) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110674032
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)sc1C
InChIInChI=1S/C17H16FN3O2S/c1-9-10(2)24-17(19-9)21-15(22)6-4-12-7-11-3-5-13(18)8-14(11)20-16(12)23/h3,5,7-8H,4,6H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyACJSAWVQHZVUAS-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
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ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
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2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110624095
N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (CID 110674032) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is Cc1nc(NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is ACJSAWVQHZVUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-9-10(2)24-17(19-9)21-15(22)6-4-12-7-11-3-5-13(18)8-14(11)20-16(12)23/h3,5,7-8H,4,6H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110674032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).