3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide

C28H33N3O3 — CID 42659478

About 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide

3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide (PubChem CID 42659478) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
• PubChem CID: 42659478
• Molecular Formula: C28H33N3O3
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.25
• IUPAC Name: 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
• SMILES: CC(C)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)CCC1CCCC1
• InChI: InChI=1S/C28H33N3O3/c1-20(2)30(26(32)16-15-21-9-3-4-10-21)19-27(33)31-23-12-6-5-11-22(23)29-17-7-13-24(29)28(31)25-14-8-18-34-25/h5-8,11-14,17-18,20-21,28H,3-4,9-10,15-16,19H2,1-2H3
• InChIKey: XKTOIGIWIULBSB-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 58.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

The IUPAC name of 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide (CID 42659478) is 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide.

What is the SMILES notation for 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

The canonical SMILES for 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide is CC(C)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)CCC1CCCC1.

What is the InChIKey of 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

The InChIKey is XKTOIGIWIULBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-20(2)30(26(32)16-15-21-9-3-4-10-21)19-27(33)31-23-12-6-5-11-22(23)29-17-7-13-24(29)28(31)25-14-8-18-34-25/h5-8,11-14,17-18,20-21,28H,3-4,9-10,15-16,19H2,1-2H3.

What are the key properties of 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide?

3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide has a molecular weight of 459.59 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 42659478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).