N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide

C22H28N6O2S — CID 141223938

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide
SMILESCc1nc(NC2CCC(NS(=O)(=O)c3cccc4cccnc34)CC2)cc(N(C)C)n1
InChIInChI=1S/C22H28N6O2S/c1-15-24-20(14-21(25-15)28(2)3)26-17-9-11-18(12-10-17)27-31(29,30)19-8-4-6-16-7-5-13-23-22(16)19/h4-8,13-14,17-18,27H,9-12H2,1-3H3,(H,24,25,26)
InChIKeyLNFRSWNINUOBPM-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.10
Rot. Bonds6

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide (PubChem CID 141223938) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide
PubChem CID141223938
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide
SMILESCc1nc(NC2CCC(NS(=O)(=O)c3cccc4cccnc34)CC2)cc(N(C)C)n1
InChIInChI=1S/C22H28N6O2S/c1-15-24-20(14-21(25-15)28(2)3)26-17-9-11-18(12-10-17)27-31(29,30)19-8-4-6-16-7-5-13-23-22(16)19/h4-8,13-14,17-18,27H,9-12H2,1-3H3,(H,24,25,26)
InChIKeyLNFRSWNINUOBPM-UHFFFAOYSA-N
XLogP3.10
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide with MolForge

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Related Compounds

N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 141223857
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 141223964
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 126935356
N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide
CID 91421233
4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 91320744
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
CID 11574826

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide (CID 141223938) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide is Cc1nc(NC2CCC(NS(=O)(=O)c3cccc4cccnc34)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide?
The InChIKey is LNFRSWNINUOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-15-24-20(14-21(25-15)28(2)3)26-17-9-11-18(12-10-17)27-31(29,30)19-8-4-6-16-7-5-13-23-22(16)19/h4-8,13-14,17-18,27H,9-12H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide has a molecular weight of 440.57 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide is sourced from PubChem (CID 141223938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).