(2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide

C29H27ClN2O4 — CID 87598299

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

(2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide (PubChem CID 87598299) has the molecular formula C29H27ClN2O4 and a molecular weight of 503.00 g/mol. Its IUPAC name is (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide
• PubChem CID: 87598299
• Molecular Formula: C29H27ClN2O4
• Molecular Weight: 503.00 g/mol
• Exact Mass: 502.17
• IUPAC Name: (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide
• SMILES: CC(C)Oc1ccc(/C(=C\C=C\C(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C29H27ClN2O4/c1-18(2)36-22-15-11-20(12-16-22)23(19-9-13-21(30)14-10-19)5-3-8-28(34)31-25-6-4-7-26-24(25)17-27(33)29(35)32-26/h3-16,18,27,33H,17H2,1-2H3,(H,31,34)(H,32,35)/b8-3+,23-5-
• InChIKey: VJPZZVQRJUZXEX-WJLABUQWSA-N
• XLogP: 5.61
• TPSA: 87.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.00
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide?

The IUPAC name of (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide (CID 87598299) is (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide.

What is the SMILES notation for (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide?

The canonical SMILES for (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide is CC(C)Oc1ccc(/C(=C\C=C\C(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(Cl)cc2)cc1.

What is the InChIKey of (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide?

The InChIKey is VJPZZVQRJUZXEX-WJLABUQWSA-N. The full InChI is InChI=1S/C29H27ClN2O4/c1-18(2)36-22-15-11-20(12-16-22)23(19-9-13-21(30)14-10-19)5-3-8-28(34)31-25-6-4-7-26-24(25)17-27(33)29(35)32-26/h3-16,18,27,33H,17H2,1-2H3,(H,31,34)(H,32,35)/b8-3+,23-5-.

What are the key properties of (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide?

(2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide has a molecular weight of 503.00 g/mol, XLogP of 5.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-5-(4-chlorophenyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 87598299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).