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

C26H22FN5O3 — CID 71532955

IUPAC1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H22FN5O3/c27-19-4-2-6-21(15-19)30-26(34)29-20-5-1-3-17(13-20)25(33)18-7-8-22-23(14-18)31-24(16-28-22)32-9-11-35-12-10-32/h1-8,13-16H,9-12H2,(H2,29,30,34)
InChIKeyRHZRFLBGCJFPMY-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.48
Rot. Bonds5

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

1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea (PubChem CID 71532955) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
PubChem CID71532955
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H22FN5O3/c27-19-4-2-6-21(15-19)30-26(34)29-20-5-1-3-17(13-20)25(33)18-7-8-22-23(14-18)31-24(16-28-22)32-9-11-35-12-10-32/h1-8,13-16H,9-12H2,(H2,29,30,34)
InChIKeyRHZRFLBGCJFPMY-UHFFFAOYSA-N
XLogP4.48
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea (CID 71532955) is 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea is O=C(Nc1cccc(F)c1)Nc1cccc(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?
The InChIKey is RHZRFLBGCJFPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c27-19-4-2-6-21(15-19)30-26(34)29-20-5-1-3-17(13-20)25(33)18-7-8-22-23(14-18)31-24(16-28-22)32-9-11-35-12-10-32/h1-8,13-16H,9-12H2,(H2,29,30,34).
What are the key properties of 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea?
1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea has a molecular weight of 471.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea is sourced from PubChem (CID 71532955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).