[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

C28H22N2O6 — CID 154835472

About [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (PubChem CID 154835472) has the molecular formula C28H22N2O6 and a molecular weight of 482.49 g/mol. Its IUPAC name is [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

Molecular Properties

• Compound Name: [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
• PubChem CID: 154835472
• Molecular Formula: C28H22N2O6
• Molecular Weight: 482.49 g/mol
• Exact Mass: 482.15
• IUPAC Name: [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
• SMILES: Cc1c(-c2ccccc2)oc2c(C(=O)OC(C)C(=O)N3CC(=O)Nc4ccccc43)cccc2c1=O
• InChI: InChI=1S/C28H22N2O6/c1-16-24(32)19-11-8-12-20(26(19)36-25(16)18-9-4-3-5-10-18)28(34)35-17(2)27(33)30-15-23(31)29-21-13-6-7-14-22(21)30/h3-14,17H,15H2,1-2H3,(H,29,31)
• InChIKey: KVLSTPYWBVRGSY-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 105.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.49
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

The IUPAC name of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate (CID 154835472) is [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate.

What is the SMILES notation for [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

The canonical SMILES for [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is Cc1c(-c2ccccc2)oc2c(C(=O)OC(C)C(=O)N3CC(=O)Nc4ccccc43)cccc2c1=O.

What is the InChIKey of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

The InChIKey is KVLSTPYWBVRGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O6/c1-16-24(32)19-11-8-12-20(26(19)36-25(16)18-9-4-3-5-10-18)28(34)35-17(2)27(33)30-15-23(31)29-21-13-6-7-14-22(21)30/h3-14,17H,15H2,1-2H3,(H,29,31).

What are the key properties of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate?

[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate has a molecular weight of 482.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate is sourced from PubChem (CID 154835472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).