(E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide

C27H26N2O2 — CID 7592871

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

(E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide (PubChem CID 7592871) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
• PubChem CID: 7592871
• Molecular Formula: C27H26N2O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.20
• IUPAC Name: (E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
• SMILES: CC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@H]1C
• InChI: InChI=1S/C27H26N2O2/c1-20-19-26(24-15-9-10-16-25(24)28(20)21(2)30)29(23-13-7-4-8-14-23)27(31)18-17-22-11-5-3-6-12-22/h3-18,20,26H,19H2,1-2H3/b18-17+/t20-,26-/m1/s1
• InChIKey: DCZDXBPFAUVTBW-JHATUCIOSA-N
• XLogP: 5.62
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide (CID 7592871) is (E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide.

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

The canonical SMILES for (E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide is CC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@H]1C.

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

The InChIKey is DCZDXBPFAUVTBW-JHATUCIOSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-20-19-26(24-15-9-10-16-25(24)28(20)21(2)30)29(23-13-7-4-8-14-23)27(31)18-17-22-11-5-3-6-12-22/h3-18,20,26H,19H2,1-2H3/b18-17+/t20-,26-/m1/s1.

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

(E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide has a molecular weight of 410.52 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 7592871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).