1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea

C25H22FN5O3 — CID 71678672

IUPAC1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccc3ncc(N4CCOCC4)nc3c2)cc1
InChIInChI=1S/C25H22FN5O3/c26-17-1-3-18(4-2-17)28-25(32)29-19-5-7-20(8-6-19)34-21-9-10-22-23(15-21)30-24(16-27-22)31-11-13-33-14-12-31/h1-10,15-16H,11-14H2,(H2,28,29,32)
InChIKeyHHKRELULHVGYGO-UHFFFAOYSA-N
MW459.48 g/mol
LogP5.04
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea

1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea (PubChem CID 71678672) has the molecular formula C25H22FN5O3 and a molecular weight of 459.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
PubChem CID71678672
Molecular FormulaC25H22FN5O3
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC Name1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccc3ncc(N4CCOCC4)nc3c2)cc1
InChIInChI=1S/C25H22FN5O3/c26-17-1-3-18(4-2-17)28-25(32)29-19-5-7-20(8-6-19)34-21-9-10-22-23(15-21)30-24(16-27-22)31-11-13-33-14-12-31/h1-10,15-16H,11-14H2,(H2,28,29,32)
InChIKeyHHKRELULHVGYGO-UHFFFAOYSA-N
XLogP5.04
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea (CID 71678672) is 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccc3ncc(N4CCOCC4)nc3c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea?
The InChIKey is HHKRELULHVGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3/c26-17-1-3-18(4-2-17)28-25(32)29-19-5-7-20(8-6-19)34-21-9-10-22-23(15-21)30-24(16-27-22)31-11-13-33-14-12-31/h1-10,15-16H,11-14H2,(H2,28,29,32).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea?
1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea has a molecular weight of 459.48 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea is sourced from PubChem (CID 71678672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).