1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea

C25H19F3N4O4 — CID 89443748

IUPAC1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
SMILESCOCCOc1cnc2ccc(C(=O)c3c(F)ccc(NC(=O)Nc4cccc(F)c4)c3F)cc2n1
InChIInChI=1S/C25H19F3N4O4/c1-35-9-10-36-21-13-29-18-7-5-14(11-20(18)31-21)24(33)22-17(27)6-8-19(23(22)28)32-25(34)30-16-4-2-3-15(26)12-16/h2-8,11-13H,9-10H2,1H3,(H2,30,32,34)
InChIKeyQBEROCWIBMJPGO-UHFFFAOYSA-N
MW496.45 g/mol
LogP4.95
Rot. Bonds8

About 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea

1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea (PubChem CID 89443748) has the molecular formula C25H19F3N4O4 and a molecular weight of 496.45 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
PubChem CID89443748
Molecular FormulaC25H19F3N4O4
Molecular Weight496.45 g/mol
Exact Mass496.14
IUPAC Name1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
SMILESCOCCOc1cnc2ccc(C(=O)c3c(F)ccc(NC(=O)Nc4cccc(F)c4)c3F)cc2n1
InChIInChI=1S/C25H19F3N4O4/c1-35-9-10-36-21-13-29-18-7-5-14(11-20(18)31-21)24(33)22-17(27)6-8-19(23(22)28)32-25(34)30-16-4-2-3-15(26)12-16/h2-8,11-13H,9-10H2,1H3,(H2,30,32,34)
InChIKeyQBEROCWIBMJPGO-UHFFFAOYSA-N
XLogP4.95
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89443389
3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
CID 151533168
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
CID 89443323
3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
CID 89443473
(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone
CID 89478118
1-(3-fluorophenyl)-3-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71533206
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[3-(3-cyanoquinoxaline-6-carbonyl)-2,4-difluorophenyl]urea
CID 89443406
1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
1-[3,4-difluoro-5-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89445176
1-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 90083412

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea (CID 89443748) is 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea is COCCOc1cnc2ccc(C(=O)c3c(F)ccc(NC(=O)Nc4cccc(F)c4)c3F)cc2n1.
What is the InChIKey of 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is QBEROCWIBMJPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O4/c1-35-9-10-36-21-13-29-18-7-5-14(11-20(18)31-21)24(33)22-17(27)6-8-19(23(22)28)32-25(34)30-16-4-2-3-15(26)12-16/h2-8,11-13H,9-10H2,1H3,(H2,30,32,34).
What are the key properties of 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea?
1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 496.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 89443748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).