N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide

C20H19BrFN5O — CID 46365196

IUPACN-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C20H19BrFN5O/c1-26-8-10-27(11-9-26)19-18(23-16-4-2-3-5-17(16)24-19)20(28)25-15-7-6-13(21)12-14(15)22/h2-7,12H,8-11H2,1H3,(H,25,28)
InChIKeyBWRPXQVRZAAZHT-UHFFFAOYSA-N
MW444.31 g/mol
LogP3.54
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide

N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (PubChem CID 46365196) has the molecular formula C20H19BrFN5O and a molecular weight of 444.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
PubChem CID46365196
Molecular FormulaC20H19BrFN5O
Molecular Weight444.31 g/mol
Exact Mass443.08
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
SMILESCN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C20H19BrFN5O/c1-26-8-10-27(11-9-26)19-18(23-16-4-2-3-5-17(16)24-19)20(28)25-15-7-6-13(21)12-14(15)22/h2-7,12H,8-11H2,1H3,(H,25,28)
InChIKeyBWRPXQVRZAAZHT-UHFFFAOYSA-N
XLogP3.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365217
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
CID 46365225
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
CID 22585960
N-(4-bromo-2-fluorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
CID 53052206
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34803866
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide (CID 46365196) is N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is CN1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(Br)cc2F)CC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
The InChIKey is BWRPXQVRZAAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN5O/c1-26-8-10-27(11-9-26)19-18(23-16-4-2-3-5-17(16)24-19)20(28)25-15-7-6-13(21)12-14(15)22/h2-7,12H,8-11H2,1H3,(H,25,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide has a molecular weight of 444.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).