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

C34H30N2O2 — CID 40911288

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

(E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide (PubChem CID 40911288) has the molecular formula C34H30N2O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is (E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
• PubChem CID: 40911288
• Molecular Formula: C34H30N2O2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.23
• IUPAC Name: (E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
• SMILES: C[C@@H]1C[C@@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccccc1
• InChI: InChI=1S/C34H30N2O2/c1-26-25-32(36(29-17-9-4-10-18-29)34(38)24-22-28-15-7-3-8-16-28)30-19-11-12-20-31(30)35(26)33(37)23-21-27-13-5-2-6-14-27/h2-24,26,32H,25H2,1H3/b23-21+,24-22+/t26-,32-/m1/s1
• InChIKey: VSAWJOXPMYNXRQ-NJCHKYAHSA-N
• XLogP: 7.31
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	7.31
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)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide?

The IUPAC name of (E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide (CID 40911288) is (E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide.

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

The canonical SMILES for (E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide is C[C@@H]1C[C@@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccccc1.

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

The InChIKey is VSAWJOXPMYNXRQ-NJCHKYAHSA-N. The full InChI is InChI=1S/C34H30N2O2/c1-26-25-32(36(29-17-9-4-10-18-29)34(38)24-22-28-15-7-3-8-16-28)30-19-11-12-20-31(30)35(26)33(37)23-21-27-13-5-2-6-14-27/h2-24,26,32H,25H2,1H3/b23-21+,24-22+/t26-,32-/m1/s1.

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

(E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide has a molecular weight of 498.63 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 40911288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).