6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine

C20H21BrN4O2S — CID 122189747

IUPAC6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine
SMILESCc1nc2cc(Br)ccc2nc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21BrN4O2S/c1-14-20(24-18-10-5-15(21)13-19(18)22-14)23-16-6-8-17(9-7-16)28(26,27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,23,24)
InChIKeyQXSHTJHCCCSYKO-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.62
Rot. Bonds4

About 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine

6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine (PubChem CID 122189747) has the molecular formula C20H21BrN4O2S and a molecular weight of 461.39 g/mol. Its IUPAC name is 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine
PubChem CID122189747
Molecular FormulaC20H21BrN4O2S
Molecular Weight461.39 g/mol
Exact Mass460.06
IUPAC Name6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine
SMILESCc1nc2cc(Br)ccc2nc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21BrN4O2S/c1-14-20(24-18-10-5-15(21)13-19(18)22-14)23-16-6-8-17(9-7-16)28(26,27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,23,24)
InChIKeyQXSHTJHCCCSYKO-UHFFFAOYSA-N
XLogP4.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine?
The IUPAC name of 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine (CID 122189747) is 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine.
What is the SMILES notation for 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine?
The canonical SMILES for 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine is Cc1nc2cc(Br)ccc2nc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine?
The InChIKey is QXSHTJHCCCSYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O2S/c1-14-20(24-18-10-5-15(21)13-19(18)22-14)23-16-6-8-17(9-7-16)28(26,27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,23,24).
What are the key properties of 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine?
6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine has a molecular weight of 461.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine is sourced from PubChem (CID 122189747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).