(Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide

C28H28N2O3 — CID 92914052

About (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide

(Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide (PubChem CID 92914052) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide
• PubChem CID: 92914052
• Molecular Formula: C28H28N2O3
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.21
• IUPAC Name: (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide
• SMILES: COc1ccc(/C=C\C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)cc1
• InChI: InChI=1S/C28H28N2O3/c1-20-19-27(25-11-7-8-12-26(25)29(20)21(2)31)30(23-9-5-4-6-10-23)28(32)18-15-22-13-16-24(33-3)17-14-22/h4-18,20,27H,19H2,1-3H3/b18-15-/t20-,27-/m1/s1
• InChIKey: MNAKXFMOSHIJJW-MUNCNSTASA-N
• XLogP: 5.63
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide?

The IUPAC name of (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide (CID 92914052) is (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide.

What is the SMILES notation for (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide?

The canonical SMILES for (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide is COc1ccc(/C=C\C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)cc1.

What is the InChIKey of (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide?

The InChIKey is MNAKXFMOSHIJJW-MUNCNSTASA-N. The full InChI is InChI=1S/C28H28N2O3/c1-20-19-27(25-11-7-8-12-26(25)29(20)21(2)31)30(23-9-5-4-6-10-23)28(32)18-15-22-13-16-24(33-3)17-14-22/h4-18,20,27H,19H2,1-3H3/b18-15-/t20-,27-/m1/s1.

What are the key properties of (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide?

(Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide has a molecular weight of 440.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 92914052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).