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

C23H15ClF2N4O3 — CID 89443389

IUPAC1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
SMILESCOc1cnc2ccc(C(=O)c3c(Cl)ccc(NC(=O)Nc4cccc(F)c4)c3F)cc2n1
InChIInChI=1S/C23H15ClF2N4O3/c1-33-19-11-27-16-7-5-12(9-18(16)29-19)22(31)20-15(24)6-8-17(21(20)26)30-23(32)28-14-4-2-3-13(25)10-14/h2-11H,1H3,(H2,28,30,32)
InChIKeyMKGKIYFBWOXIHL-UHFFFAOYSA-N
MW468.85 g/mol
LogP5.45
Rot. Bonds5

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

1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea (PubChem CID 89443389) has the molecular formula C23H15ClF2N4O3 and a molecular weight of 468.85 g/mol. Its IUPAC name is 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
PubChem CID89443389
Molecular FormulaC23H15ClF2N4O3
Molecular Weight468.85 g/mol
Exact Mass468.08
IUPAC Name1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
SMILESCOc1cnc2ccc(C(=O)c3c(Cl)ccc(NC(=O)Nc4cccc(F)c4)c3F)cc2n1
InChIInChI=1S/C23H15ClF2N4O3/c1-33-19-11-27-16-7-5-12(9-18(16)29-19)22(31)20-15(24)6-8-17(21(20)26)30-23(32)28-14-4-2-3-13(25)10-14/h2-11H,1H3,(H2,28,30,32)
InChIKeyMKGKIYFBWOXIHL-UHFFFAOYSA-N
XLogP5.45
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.85
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 89443748
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
CID 89443323
3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443756
3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
CID 151533168
1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
1-(3-fluorophenyl)-3-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71533206
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443365
1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[3-(3-cyanoquinoxaline-6-carbonyl)-2,4-difluorophenyl]urea
CID 89443406
N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89444964
3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
CID 89443473
1-[3,4-difluoro-5-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89445176

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea (CID 89443389) is 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea is COc1cnc2ccc(C(=O)c3c(Cl)ccc(NC(=O)Nc4cccc(F)c4)c3F)cc2n1.
What is the InChIKey of 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is MKGKIYFBWOXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N4O3/c1-33-19-11-27-16-7-5-12(9-18(16)29-19)22(31)20-15(24)6-8-17(21(20)26)30-23(32)28-14-4-2-3-13(25)10-14/h2-11H,1H3,(H2,28,30,32).
What are the key properties of 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 468.85 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 89443389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).