1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

C99H82BrClF3N29O6 — CID 158138883

IUPAC1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cc1ccc(NC(=O)Nc2ccc3ncc(-c4ccn(C)c4)nc3c2)cc1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(Br)c4)cc3n2)cn1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)cn1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3n2)cn1
InChIInChI=1S/C21H19N5O.C20H15F3N6O.C20H18N6O2.C19H15BrN6O.C19H15ClN6O/c1-14-3-5-16(6-4-14)23-21(27)24-17-7-8-18-19(11-17)25-20(12-22-18)15-9-10-26(2)13-15;1-29-11-12(9-25-29)18-10-24-16-6-5-15(8-17(16)28-18)27-19(30)26-14-4-2-3-13(7-14)20(21,22)23;1-26-12-13(10-22-26)19-11-21-17-7-6-15(9-18(17)25-19)24-20(27)23-14-4-3-5-16(8-14)28-2;2*1-26-11-12(9-22-26)18-10-21-16-6-5-15(8-17(16)25-18)24-19(27)23-14-4-2-3-13(20)7-14/h3-13H,1-2H3,(H2,23,24,27);2-11H,1H3,(H2,26,27,30);3-12H,1-2H3,(H2,23,24,27);2*2-11H,1H3,(H2,23,24,27)
InChIKeyFTRRBQFLLZGPOX-UHFFFAOYSA-N
MW1946.29 g/mol
LogP21.73
Rot. Bonds16

About 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 158138883) has the molecular formula C99H82BrClF3N29O6 and a molecular weight of 1946.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID158138883
Molecular FormulaC99H82BrClF3N29O6
Molecular Weight1946.29 g/mol
Exact Mass1943.58
IUPAC Name1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cc1ccc(NC(=O)Nc2ccc3ncc(-c4ccn(C)c4)nc3c2)cc1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(Br)c4)cc3n2)cn1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)cn1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3n2)cn1
InChIInChI=1S/C21H19N5O.C20H15F3N6O.C20H18N6O2.C19H15BrN6O.C19H15ClN6O/c1-14-3-5-16(6-4-14)23-21(27)24-17-7-8-18-19(11-17)25-20(12-22-18)15-9-10-26(2)13-15;1-29-11-12(9-25-29)18-10-24-16-6-5-15(8-17(16)28-18)27-19(30)26-14-4-2-3-13(7-14)20(21,22)23;1-26-12-13(10-22-26)19-11-21-17-7-6-15(9-18(17)25-19)24-20(27)23-14-4-3-5-16(8-14)28-2;2*1-26-11-12(9-22-26)18-10-21-16-6-5-15(8-17(16)25-18)24-19(27)23-14-4-2-3-13(20)7-14/h3-13H,1-2H3,(H2,23,24,27);2-11H,1H3,(H2,26,27,30);3-12H,1-2H3,(H2,23,24,27);2*2-11H,1H3,(H2,23,24,27)
InChIKeyFTRRBQFLLZGPOX-UHFFFAOYSA-N
XLogP21.73
TPSA419.99 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001946.29
LogP ≤ 521.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142602260
1-[3-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58917270
1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122183073
1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
CID 164612315
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[4-[2-(2-aminoethoxy)ethoxy]-3-bromophenyl]-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea
CID 171060057
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-methoxyphenyl)-3-[4-[3-(2-methylpropoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]urea
CID 42777459
tert-butyl N-[2-[2-[2-bromo-4-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]carbamoylamino]phenoxy]ethoxy]ethyl]carbamate
CID 171060034
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-[4-[4-(1-methylpyrazol-4-yl)-1-oxophthalazin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 162651152

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 158138883) is 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is COc1cccc(NC(=O)Nc2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cc1ccc(NC(=O)Nc2ccc3ncc(-c4ccn(C)c4)nc3c2)cc1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(Br)c4)cc3n2)cn1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)cn1.Cn1cc(-c2cnc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3n2)cn1.
What is the InChIKey of 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is FTRRBQFLLZGPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.C20H15F3N6O.C20H18N6O2.C19H15BrN6O.C19H15ClN6O/c1-14-3-5-16(6-4-14)23-21(27)24-17-7-8-18-19(11-17)25-20(12-22-18)15-9-10-26(2)13-15;1-29-11-12(9-25-29)18-10-24-16-6-5-15(8-17(16)28-18)27-19(30)26-14-4-2-3-13(7-14)20(21,22)23;1-26-12-13(10-22-26)19-11-21-17-7-6-15(9-18(17)25-19)24-20(27)23-14-4-3-5-16(8-14)28-2;2*1-26-11-12(9-22-26)18-10-21-16-6-5-15(8-17(16)25-18)24-19(27)23-14-4-2-3-13(20)7-14/h3-13H,1-2H3,(H2,23,24,27);2-11H,1H3,(H2,26,27,30);3-12H,1-2H3,(H2,23,24,27);2*2-11H,1H3,(H2,23,24,27).
What are the key properties of 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1946.29 g/mol, XLogP of 21.73, 16 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158138883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).