1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea

C28H26N4O3 — CID 4988462

About 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea

1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea (PubChem CID 4988462) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea
• PubChem CID: 4988462
• Molecular Formula: C28H26N4O3
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.20
• IUPAC Name: 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea
• SMILES: Cc1ccccc1NC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C1CC1
• InChI: InChI=1S/C28H26N4O3/c1-19-8-2-3-9-21(19)29-28(34)31(20-14-15-20)18-26(33)32-23-11-5-4-10-22(23)30-16-6-12-24(30)27(32)25-13-7-17-35-25/h2-13,16-17,20,27H,14-15,18H2,1H3,(H,29,34)
• InChIKey: XNSSJALUYBILOE-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea?

The IUPAC name of 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea (CID 4988462) is 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea.

What is the SMILES notation for 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea?

The canonical SMILES for 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C1CC1.

What is the InChIKey of 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea?

The InChIKey is XNSSJALUYBILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-19-8-2-3-9-21(19)29-28(34)31(20-14-15-20)18-26(33)32-23-11-5-4-10-22(23)30-16-6-12-24(30)27(32)25-13-7-17-35-25/h2-13,16-17,20,27H,14-15,18H2,1H3,(H,29,34).

What are the key properties of 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea?

1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea has a molecular weight of 466.54 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-1-[2-[4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 4988462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).