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

C22H14ClFN4O2 — CID 75203984

IUPAC1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)c2ccc3nccnc3c2)cc1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H14ClFN4O2/c23-17-7-6-16(12-18(17)24)28-22(30)27-15-4-1-13(2-5-15)21(29)14-3-8-19-20(11-14)26-10-9-25-19/h1-12H,(H2,27,28,30)
InChIKeyOKKNBAKLDWBUMK-UHFFFAOYSA-N
MW420.83 g/mol
LogP5.30
Rot. Bonds4

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

1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea (PubChem CID 75203984) has the molecular formula C22H14ClFN4O2 and a molecular weight of 420.83 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
PubChem CID75203984
Molecular FormulaC22H14ClFN4O2
Molecular Weight420.83 g/mol
Exact Mass420.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)c2ccc3nccnc3c2)cc1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H14ClFN4O2/c23-17-7-6-16(12-18(17)24)28-22(30)27-15-4-1-13(2-5-15)21(29)14-3-8-19-20(11-14)26-10-9-25-19/h1-12H,(H2,27,28,30)
InChIKeyOKKNBAKLDWBUMK-UHFFFAOYSA-N
XLogP5.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.83
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
CID 89443349
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4,5-trifluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71532996
1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
1-(3-fluorophenyl)-3-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71533206
3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 75203737
1-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89443138
methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
CID 3934673
N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 135486159
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 10272063
3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 75204110
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea (CID 75203984) is 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea is O=C(Nc1ccc(C(=O)c2ccc3nccnc3c2)cc1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea?
The InChIKey is OKKNBAKLDWBUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O2/c23-17-7-6-16(12-18(17)24)28-22(30)27-15-4-1-13(2-5-15)21(29)14-3-8-19-20(11-14)26-10-9-25-19/h1-12H,(H2,27,28,30).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea?
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea has a molecular weight of 420.83 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea is sourced from PubChem (CID 75203984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).