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

C30H30N2O4 — CID 91605465

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

N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide (PubChem CID 91605465) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide
• PubChem CID: 91605465
• Molecular Formula: C30H30N2O4
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.22
• IUPAC Name: N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide
• SMILES: Cc1ccc(C(=CC=CC(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(OC(C)C)cc2)cc1
• InChI: InChI=1S/C30H30N2O4/c1-19(2)36-23-16-14-22(15-17-23)24(21-12-10-20(3)11-13-21)6-4-9-29(34)31-26-7-5-8-27-25(26)18-28(33)30(35)32-27/h4-17,19,28,33H,18H2,1-3H3,(H,31,34)(H,32,35)
• InChIKey: XKXZEHZMGDWKAD-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 87.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	5.26
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 N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide?

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

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

The canonical SMILES for N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide is Cc1ccc(C(=CC=CC(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(OC(C)C)cc2)cc1.

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

The InChIKey is XKXZEHZMGDWKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-19(2)36-23-16-14-22(15-17-23)24(21-12-10-20(3)11-13-21)6-4-9-29(34)31-26-7-5-8-27-25(26)18-28(33)30(35)32-27/h4-17,19,28,33H,18H2,1-3H3,(H,31,34)(H,32,35).

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

N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide has a molecular weight of 482.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(4-methylphenyl)-5-(4-propan-2-yloxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 91605465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).