2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C25H24FN5O3S — CID 164612295

IUPAC2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)[nH]c5ccc(F)cc45)CC3)n2)cc1
InChIInChI=1S/C25H24FN5O3S/c1-34-18-5-2-16(3-6-18)21-15-35-25(28-21)29-24(33)14-30-8-10-31(11-9-30)22-13-23(32)27-20-7-4-17(26)12-19(20)22/h2-7,12-13,15H,8-11,14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyCEQBZAZUDSRNJU-UHFFFAOYSA-N
MW493.56 g/mol
LogP3.56
Rot. Bonds6

About 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 164612295) has the molecular formula C25H24FN5O3S and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID164612295
Molecular FormulaC25H24FN5O3S
Molecular Weight493.56 g/mol
Exact Mass493.16
IUPAC Name2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)[nH]c5ccc(F)cc45)CC3)n2)cc1
InChIInChI=1S/C25H24FN5O3S/c1-34-18-5-2-16(3-6-18)21-15-35-25(28-21)29-24(33)14-30-8-10-31(11-9-30)22-13-23(32)27-20-7-4-17(26)12-19(20)22/h2-7,12-13,15H,8-11,14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyCEQBZAZUDSRNJU-UHFFFAOYSA-N
XLogP3.56
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 164612295) is 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN3CCN(c4cc(=O)[nH]c5ccc(F)cc45)CC3)n2)cc1.
What is the InChIKey of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CEQBZAZUDSRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3S/c1-34-18-5-2-16(3-6-18)21-15-35-25(28-21)29-24(33)14-30-8-10-31(11-9-30)22-13-23(32)27-20-7-4-17(26)12-19(20)22/h2-7,12-13,15H,8-11,14H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 493.56 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164612295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).