N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide

C28H25N3O4 — CID 34133679

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 34133679) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
• PubChem CID: 34133679
• Molecular Formula: C28H25N3O4
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.18
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
• SMILES: Cc1cccc2c(=O)n(CC(=O)N(C/C=C/c3ccccc3)c3ccc4c(c3)OCCO4)cnc12
• InChI: InChI=1S/C28H25N3O4/c1-20-7-5-11-23-27(20)29-19-30(28(23)33)18-26(32)31(14-6-10-21-8-3-2-4-9-21)22-12-13-24-25(17-22)35-16-15-34-24/h2-13,17,19H,14-16,18H2,1H3/b10-6+
• InChIKey: SWVFWYLUTUDLPK-UXBLZVDNSA-N
• XLogP: 4.22
• TPSA: 73.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 34133679) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide is Cc1cccc2c(=O)n(CC(=O)N(C/C=C/c3ccccc3)c3ccc4c(c3)OCCO4)cnc12.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?

The InChIKey is SWVFWYLUTUDLPK-UXBLZVDNSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-20-7-5-11-23-27(20)29-19-30(28(23)33)18-26(32)31(14-6-10-21-8-3-2-4-9-21)22-12-13-24-25(17-22)35-16-15-34-24/h2-13,17,19H,14-16,18H2,1H3/b10-6+.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 467.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 34133679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).