(2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide

C30H30N2O5 — CID 87600146

IUPAC(2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide
SMILESCCOc1ccc(C(=C/C=C/C(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C30H30N2O5/c1-3-36-22-15-11-20(12-16-22)24(21-13-17-23(18-14-21)37-4-2)7-5-10-29(34)31-26-8-6-9-27-25(26)19-28(33)30(35)32-27/h5-18,28,33H,3-4,19H2,1-2H3,(H,31,34)(H,32,35)/b10-5+
InChIKeyVLVLWGHINCAMSH-BJMVGYQFSA-N
MW498.58 g/mol
LogP4.97
Rot. Bonds9

About (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide

(2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide (PubChem CID 87600146) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide
PubChem CID87600146
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name(2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide
SMILESCCOc1ccc(C(=C/C=C/C(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C30H30N2O5/c1-3-36-22-15-11-20(12-16-22)24(21-13-17-23(18-14-21)37-4-2)7-5-10-29(34)31-26-8-6-9-27-25(26)19-28(33)30(35)32-27/h5-18,28,33H,3-4,19H2,1-2H3,(H,31,34)(H,32,35)/b10-5+
InChIKeyVLVLWGHINCAMSH-BJMVGYQFSA-N
XLogP4.97
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienamide
CID 90847018
(2E,4E)-5-(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienamide
CID 87599042
(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
(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
N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide
CID 91605465
(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
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,4E)-5-(4-ethoxyphenyl)-N-(3-hydroxy-1,2,3,4-tetrahydroquinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
CID 87599974
(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(6-propoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87600137
(2E,4E)-5-(4-ethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87612627
(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
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

Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide?
The IUPAC name of (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide (CID 87600146) is (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide?
The canonical SMILES for (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide is CCOc1ccc(C(=C/C=C/C(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(OCC)cc2)cc1.
What is the InChIKey of (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide?
The InChIKey is VLVLWGHINCAMSH-BJMVGYQFSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-3-36-22-15-11-20(12-16-22)24(21-13-17-23(18-14-21)37-4-2)7-5-10-29(34)31-26-8-6-9-27-25(26)19-28(33)30(35)32-27/h5-18,28,33H,3-4,19H2,1-2H3,(H,31,34)(H,32,35)/b10-5+.
What are the key properties of (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide?
(2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide has a molecular weight of 498.58 g/mol, XLogP of 4.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(4-ethoxyphenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)penta-2,4-dienamide is sourced from PubChem (CID 87600146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).