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

C30H26N2O4 — CID 2323052

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

(E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide (PubChem CID 2323052) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide
• PubChem CID: 2323052
• Molecular Formula: C30H26N2O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.19
• IUPAC Name: (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide
• SMILES: C[C@H]1C[C@@H](N(C(=O)/C=C/c2ccco2)c2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccco1
• InChI: InChI=1S/C30H26N2O4/c1-22-21-28(32(23-9-3-2-4-10-23)30(34)18-16-25-12-8-20-36-25)26-13-5-6-14-27(26)31(22)29(33)17-15-24-11-7-19-35-24/h2-20,22,28H,21H2,1H3/b17-15+,18-16+/t22-,28+/m0/s1
• InChIKey: DBBFARRRJOFORE-GIGMHMNPSA-N
• XLogP: 6.50
• TPSA: 66.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide?

The IUPAC name of (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide (CID 2323052) is (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide.

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

The canonical SMILES for (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide is C[C@H]1C[C@@H](N(C(=O)/C=C/c2ccco2)c2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccco1.

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

The InChIKey is DBBFARRRJOFORE-GIGMHMNPSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-22-21-28(32(23-9-3-2-4-10-23)30(34)18-16-25-12-8-20-36-25)26-13-5-6-14-27(26)31(22)29(33)17-15-24-11-7-19-35-24/h2-20,22,28H,21H2,1H3/b17-15+,18-16+/t22-,28+/m0/s1.

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

(E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide has a molecular weight of 478.55 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 2323052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).