1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea

C26H20ClF2N5O3 — CID 89443365

About 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea

1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea (PubChem CID 89443365) has the molecular formula C26H20ClF2N5O3 and a molecular weight of 523.93 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
• PubChem CID: 89443365
• Molecular Formula: C26H20ClF2N5O3
• Molecular Weight: 523.93 g/mol
• Exact Mass: 523.12
• IUPAC Name: 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
• SMILES: O=C(Nc1ccc(Cl)c(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1F
• InChI: InChI=1S/C26H20ClF2N5O3/c27-18-6-5-16(13-19(18)28)31-26(36)33-21-3-1-2-17(24(21)29)25(35)15-4-7-20-22(12-15)32-23(14-30-20)34-8-10-37-11-9-34/h1-7,12-14H,8-11H2,(H2,31,33,36)
• InChIKey: UVELZMPEXKOHCU-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.93
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?

The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea (CID 89443365) is 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea.

What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?

The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea is O=C(Nc1ccc(Cl)c(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1F.

What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?

The InChIKey is UVELZMPEXKOHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF2N5O3/c27-18-6-5-16(13-19(18)28)31-26(36)33-21-3-1-2-17(24(21)29)25(35)15-4-7-20-22(12-15)32-23(14-30-20)34-8-10-37-11-9-34/h1-7,12-14H,8-11H2,(H2,31,33,36).

What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?

1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea has a molecular weight of 523.93 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea is sourced from PubChem (CID 89443365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).