(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

C26H20F3N3O3 — CID 86633263

IUPAC(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESO=C(/C=C/C=C(\c1ccncc1)c1ccc(C(F)(F)F)cc1)Nc1cccc2c1CC(O)C(=O)N2
InChIInChI=1S/C26H20F3N3O3/c27-26(28,29)18-9-7-16(8-10-18)19(17-11-13-30-14-12-17)3-1-6-24(34)31-21-4-2-5-22-20(21)15-23(33)25(35)32-22/h1-14,23,33H,15H2,(H,31,34)(H,32,35)/b6-1+,19-3-
InChIKeyHOJYMKCIABHISP-MGGAGMQCSA-N
MW479.46 g/mol
LogP4.58
Rot. Bonds5

About (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (PubChem CID 86633263) has the molecular formula C26H20F3N3O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
PubChem CID86633263
Molecular FormulaC26H20F3N3O3
Molecular Weight479.46 g/mol
Exact Mass479.15
IUPAC Name(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESO=C(/C=C/C=C(\c1ccncc1)c1ccc(C(F)(F)F)cc1)Nc1cccc2c1CC(O)C(=O)N2
InChIInChI=1S/C26H20F3N3O3/c27-26(28,29)18-9-7-16(8-10-18)19(17-11-13-30-14-12-17)3-1-6-24(34)31-21-4-2-5-22-20(21)15-23(33)25(35)32-22/h1-14,23,33H,15H2,(H,31,34)(H,32,35)/b6-1+,19-3-
InChIKeyHOJYMKCIABHISP-MGGAGMQCSA-N
XLogP4.58
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide with MolForge

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Related Compounds

N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 91279552
(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 57385286
(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-piperidin-1-ylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 57387587
(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 57384276
5-(1,3-benzodioxol-5-yl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 91103178
(2E,4E)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(2-methoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87598861
(2E,4E)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87599076
5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
CID 173122037
(2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 57385290
(2E,4E)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
CID 87599779
(2E,4E)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(3-propan-2-yloxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87599239
(2E,4E)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
CID 87598816

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (CID 86633263) is (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is O=C(/C=C/C=C(\c1ccncc1)c1ccc(C(F)(F)F)cc1)Nc1cccc2c1CC(O)C(=O)N2.
What is the InChIKey of (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The InChIKey is HOJYMKCIABHISP-MGGAGMQCSA-N. The full InChI is InChI=1S/C26H20F3N3O3/c27-26(28,29)18-9-7-16(8-10-18)19(17-11-13-30-14-12-17)3-1-6-24(34)31-21-4-2-5-22-20(21)15-23(33)25(35)32-22/h1-14,23,33H,15H2,(H,31,34)(H,32,35)/b6-1+,19-3-.
What are the key properties of (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide has a molecular weight of 479.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 86633263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).