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

C23H24N4O3 — CID 7356492

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

1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea (PubChem CID 7356492) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
• PubChem CID: 7356492
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: 1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
• SMILES: CCNC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1)C1CC1
• InChI: InChI=1S/C23H24N4O3/c1-2-24-23(29)26(16-11-12-16)15-21(28)27-18-8-4-3-7-17(18)25-13-5-9-19(25)22(27)20-10-6-14-30-20/h3-10,13-14,16,22H,2,11-12,15H2,1H3,(H,24,29)/t22-/m1/s1
• InChIKey: ZCPRZYLQHWKXRX-JOCHJYFZSA-N
• XLogP: 3.70
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea (CID 7356492) is 1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea.

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

The canonical SMILES for 1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea is CCNC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1)C1CC1.

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

The InChIKey is ZCPRZYLQHWKXRX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-24-23(29)26(16-11-12-16)15-21(28)27-18-8-4-3-7-17(18)25-13-5-9-19(25)22(27)20-10-6-14-30-20/h3-10,13-14,16,22H,2,11-12,15H2,1H3,(H,24,29)/t22-/m1/s1.

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

1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea has a molecular weight of 404.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-ethyl-1-[2-[(4R)-4-(furan-2-yl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea is sourced from PubChem (CID 7356492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).