2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide

C16H15N3O4S — CID 7555926

IUPAC2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)C[C@H]1SC(=O)NC1=O
InChIInChI=1S/C16H15N3O4S/c1-19(14(21)7-12-15(22)18-16(23)24-12)8-9-6-13(20)17-11-5-3-2-4-10(9)11/h2-6,12H,7-8H2,1H3,(H,17,20)(H,18,22,23)/t12-/m1/s1
InChIKeyNBRIJELLFJSJHR-GFCCVEGCSA-N
MW345.38 g/mol
LogP1.23
Rot. Bonds4

About 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide

2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide (PubChem CID 7555926) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
PubChem CID7555926
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
SMILESCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)C[C@H]1SC(=O)NC1=O
InChIInChI=1S/C16H15N3O4S/c1-19(14(21)7-12-15(22)18-16(23)24-12)8-9-6-13(20)17-11-5-3-2-4-10(9)11/h2-6,12H,7-8H2,1H3,(H,17,20)(H,18,22,23)/t12-/m1/s1
InChIKeyNBRIJELLFJSJHR-GFCCVEGCSA-N
XLogP1.23
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 4969773
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749451
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27774120
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4893298
3-(2,5-dimethylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749594
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27824819
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9469771
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9182914
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8008349
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
CID 664261

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
The IUPAC name of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide (CID 7555926) is 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide is CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)C[C@H]1SC(=O)NC1=O.
What is the InChIKey of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
The InChIKey is NBRIJELLFJSJHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-19(14(21)7-12-15(22)18-16(23)24-12)8-9-6-13(20)17-11-5-3-2-4-10(9)11/h2-6,12H,7-8H2,1H3,(H,17,20)(H,18,22,23)/t12-/m1/s1.
What are the key properties of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide?
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 7555926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).