4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

C19H21BrN4O2S — CID 86844952

IUPAC4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C19H21BrN4O2S/c1-13(2)24(3)27(25,26)16-7-4-14(5-8-16)11-21-19-17-10-15(20)6-9-18(17)22-12-23-19/h4-10,12-13H,11H2,1-3H3,(H,21,22,23)
InChIKeySLBMCUWSBXIIMZ-UHFFFAOYSA-N
MW449.37 g/mol
LogP4.03
Rot. Bonds6

About 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 86844952) has the molecular formula C19H21BrN4O2S and a molecular weight of 449.37 g/mol. Its IUPAC name is 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID86844952
Molecular FormulaC19H21BrN4O2S
Molecular Weight449.37 g/mol
Exact Mass448.06
IUPAC Name4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C19H21BrN4O2S/c1-13(2)24(3)27(25,26)16-7-4-14(5-8-16)11-21-19-17-10-15(20)6-9-18(17)22-12-23-19/h4-10,12-13H,11H2,1-3H3,(H,21,22,23)
InChIKeySLBMCUWSBXIIMZ-UHFFFAOYSA-N
XLogP4.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133431334
2-[3-[[(6-bromoquinazolin-4-yl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 87021134
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
CID 60584852
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 87021028
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 47982497
4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133374157
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 86816263

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 86844952) is 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(CNc2ncnc3ccc(Br)cc23)cc1.
What is the InChIKey of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SLBMCUWSBXIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2S/c1-13(2)24(3)27(25,26)16-7-4-14(5-8-16)11-21-19-17-10-15(20)6-9-18(17)22-12-23-19/h4-10,12-13H,11H2,1-3H3,(H,21,22,23).
What are the key properties of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 449.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 86844952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).