5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide

C24H15N3O4S2 — CID 25211845

IUPAC5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4ccc(C(=O)Nc5cccc(O)c5)s4)c3c2)S1
InChIInChI=1S/C24H15N3O4S2/c28-15-3-1-2-14(12-15)26-22(29)20-7-6-19(32-20)16-8-9-25-18-5-4-13(10-17(16)18)11-21-23(30)27-24(31)33-21/h1-12,28H,(H,26,29)(H,27,30,31)/b21-11+
InChIKeyJYQIHXPQOLZAMS-SRZZPIQSSA-N
MW473.54 g/mol
LogP5.25
Rot. Bonds4

About 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide

5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 25211845) has the molecular formula C24H15N3O4S2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID25211845
Molecular FormulaC24H15N3O4S2
Molecular Weight473.54 g/mol
Exact Mass473.05
IUPAC Name5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4ccc(C(=O)Nc5cccc(O)c5)s4)c3c2)S1
InChIInChI=1S/C24H15N3O4S2/c28-15-3-1-2-14(12-15)26-22(29)20-7-6-19(32-20)16-8-9-25-18-5-4-13(10-17(16)18)11-21-23(30)27-24(31)33-21/h1-12,28H,(H,26,29)(H,27,30,31)/b21-11+
InChIKeyJYQIHXPQOLZAMS-SRZZPIQSSA-N
XLogP5.25
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-(5-Hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
CID 44532634
N-(3-hydroxyphenyl)-2-quinolin-6-ylacetamide
CID 168275973
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]isonicotinamide
CID 2880745
N-(3-hydroxyphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 39048110
(5E)-3-(3-hydroxyphenyl)-5-(quinolin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 17589512
3-(3-Hydroxyphenyl)-5-(8-quinolylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 17589735
2-[(4-Quinolin-6-ylthiophene-2-carbonyl)amino]benzoic acid
CID 16064561
2-[(5-Quinolin-8-ylthiophene-2-carbonyl)amino]benzoic acid
CID 16064700
(5E)-5-[[4-[5-(hydroxymethyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211429
(5E)-5-[[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211544
5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]thiophene-2-carboxylic acid
CID 25211546
5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 25211846

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide (CID 25211845) is 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide is O=C1NC(=O)/C(=C\c2ccc3nccc(-c4ccc(C(=O)Nc5cccc(O)c5)s4)c3c2)S1.
What is the InChIKey of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is JYQIHXPQOLZAMS-SRZZPIQSSA-N. The full InChI is InChI=1S/C24H15N3O4S2/c28-15-3-1-2-14(12-15)26-22(29)20-7-6-19(32-20)16-8-9-25-18-5-4-13(10-17(16)18)11-21-23(30)27-24(31)33-21/h1-12,28H,(H,26,29)(H,27,30,31)/b21-11+.
What are the key properties of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 25211845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).