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

C26H21F2N5O3 — CID 71533099

IUPAC1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H21F2N5O3/c27-17-2-4-18(5-3-17)30-26(35)31-19-6-7-21(28)20(14-19)25(34)16-1-8-22-23(13-16)32-24(15-29-22)33-9-11-36-12-10-33/h1-8,13-15H,9-12H2,(H2,30,31,35)
InChIKeyKOLFKIWDOGWMGK-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.62
Rot. Bonds5

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

1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea (PubChem CID 71533099) has the molecular formula C26H21F2N5O3 and a molecular weight of 489.48 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea
PubChem CID71533099
Molecular FormulaC26H21F2N5O3
Molecular Weight489.48 g/mol
Exact Mass489.16
IUPAC Name1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H21F2N5O3/c27-17-2-4-18(5-3-17)30-26(35)31-19-6-7-21(28)20(14-19)25(34)16-1-8-22-23(13-16)32-24(15-29-22)33-9-11-36-12-10-33/h1-8,13-15H,9-12H2,(H2,30,31,35)
InChIKeyKOLFKIWDOGWMGK-UHFFFAOYSA-N
XLogP4.62
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea (CID 71533099) is 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is KOLFKIWDOGWMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O3/c27-17-2-4-18(5-3-17)30-26(35)31-19-6-7-21(28)20(14-19)25(34)16-1-8-22-23(13-16)32-24(15-29-22)33-9-11-36-12-10-33/h1-8,13-15H,9-12H2,(H2,30,31,35).
What are the key properties of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea?
1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 489.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 71533099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).