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

C26H23FN6O2 — CID 89443737

IUPAC1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cccc(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1
InChIInChI=1S/C26H23FN6O2/c27-19-5-7-20(8-6-19)30-26(35)31-21-3-1-2-17(14-21)25(34)18-4-9-22-23(15-18)32-24(16-29-22)33-12-10-28-11-13-33/h1-9,14-16,28H,10-13H2,(H2,30,31,35)
InChIKeyBKZLSEGTEDNKHU-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.05
Rot. Bonds5

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

1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea (PubChem CID 89443737) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
PubChem CID89443737
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cccc(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1
InChIInChI=1S/C26H23FN6O2/c27-19-5-7-20(8-6-19)30-26(35)31-21-3-1-2-17(14-21)25(34)18-4-9-22-23(15-18)32-24(16-29-22)33-12-10-28-11-13-33/h1-9,14-16,28H,10-13H2,(H2,30,31,35)
InChIKeyBKZLSEGTEDNKHU-UHFFFAOYSA-N
XLogP4.05
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 75204104
1-[4-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 89443327
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90134872
1-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71532895
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911369
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
CID 71547456
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89445010
1-(3-chloro-4-fluorophenyl)-3-[3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89445016

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea (CID 89443737) is 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1cccc(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea?
The InChIKey is BKZLSEGTEDNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-19-5-7-20(8-6-19)30-26(35)31-21-3-1-2-17(14-21)25(34)18-4-9-22-23(15-18)32-24(16-29-22)33-12-10-28-11-13-33/h1-9,14-16,28H,10-13H2,(H2,30,31,35).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea?
1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea has a molecular weight of 470.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea is sourced from PubChem (CID 89443737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).