1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea

C22H14F2N4O2 — CID 75202979

IUPAC1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(C(=O)c2ccc3nccnc3c2)c(F)c1
InChIInChI=1S/C22H14F2N4O2/c23-14-2-1-3-15(11-14)27-22(30)28-16-5-6-17(18(24)12-16)21(29)13-4-7-19-20(10-13)26-9-8-25-19/h1-12H,(H2,27,28,30)
InChIKeyJVPIYOWPYMPDFA-UHFFFAOYSA-N
MW404.38 g/mol
LogP4.78
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea

1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea (PubChem CID 75202979) has the molecular formula C22H14F2N4O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
PubChem CID75202979
Molecular FormulaC22H14F2N4O2
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC Name1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(C(=O)c2ccc3nccnc3c2)c(F)c1
InChIInChI=1S/C22H14F2N4O2/c23-14-2-1-3-15(11-14)27-22(30)28-16-5-6-17(18(24)12-16)21(29)13-4-7-19-20(10-13)26-9-8-25-19/h1-12H,(H2,27,28,30)
InChIKeyJVPIYOWPYMPDFA-UHFFFAOYSA-N
XLogP4.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71533206
1-[3,4-difluoro-5-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89445176
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
CID 89443349
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461
3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90134664
1-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 90083412
1-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89443138
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4,5-trifluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71532996
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 10272063
3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90135466

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea (CID 75202979) is 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea is O=C(Nc1cccc(F)c1)Nc1ccc(C(=O)c2ccc3nccnc3c2)c(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea?
The InChIKey is JVPIYOWPYMPDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O2/c23-14-2-1-3-15(11-14)27-22(30)28-16-5-6-17(18(24)12-16)21(29)13-4-7-19-20(10-13)26-9-8-25-19/h1-12H,(H2,27,28,30).
What are the key properties of 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea?
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea has a molecular weight of 404.38 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea is sourced from PubChem (CID 75202979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).