N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane

C32H43BrF2N8O4S2 — CID 158336626

IUPACN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane
SMILESC.CS(=O)(=O)NCC1CCCN(c2ncnc3cc(Br)c(F)cc23)C1.Cc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/C16H21FN4O2S.C15H18BrFN4O2S.CH4/c1-11-6-15-13(7-14(11)17)16(19-10-18-15)21-5-3-4-12(9-21)8-20-24(2,22)23;1-24(22,23)20-7-10-3-2-4-21(8-10)15-11-5-13(17)12(16)6-14(11)18-9-19-15;/h6-7,10,12,20H,3-5,8-9H2,1-2H3;5-6,9-10,20H,2-4,7-8H2,1H3;1H4
InChIKeyGQQUQSPRSMROFB-UHFFFAOYSA-N
MW785.78 g/mol
LogP4.78
Rot. Bonds8

About N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane

N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane (PubChem CID 158336626) has the molecular formula C32H43BrF2N8O4S2 and a molecular weight of 785.78 g/mol. Its IUPAC name is N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane
PubChem CID158336626
Molecular FormulaC32H43BrF2N8O4S2
Molecular Weight785.78 g/mol
Exact Mass784.20
IUPAC NameN-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane
SMILESC.CS(=O)(=O)NCC1CCCN(c2ncnc3cc(Br)c(F)cc23)C1.Cc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/C16H21FN4O2S.C15H18BrFN4O2S.CH4/c1-11-6-15-13(7-14(11)17)16(19-10-18-15)21-5-3-4-12(9-21)8-20-24(2,22)23;1-24(22,23)20-7-10-3-2-4-21(8-10)15-11-5-13(17)12(16)6-14(11)18-9-19-15;/h6-7,10,12,20H,3-5,8-9H2,1-2H3;5-6,9-10,20H,2-4,7-8H2,1H3;1H4
InChIKeyGQQUQSPRSMROFB-UHFFFAOYSA-N
XLogP4.78
TPSA150.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500785.78
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane with MolForge

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Related Compounds

N',N'-bis[7-(trifluoromethyl)quinazolin-4-yl]decane-1,10-diamine;methanesulfonic acid
CID 21568217
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 142582630
N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 142582688
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfinamide;ethane
CID 142582701
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 142582722
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 142582747
N-[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582770
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfinamide
CID 142582852
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 146331835
N-[[1-[2-[2-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-2-(methanesulfonamido)ethyl]-6-fluoroquinazolin-4-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 166866770
1-[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylsulfanylmethanamine
CID 170291446
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfinamide
CID 142582702

Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane?
The IUPAC name of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane (CID 158336626) is N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane.
What is the SMILES notation for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane?
The canonical SMILES for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane is C.CS(=O)(=O)NCC1CCCN(c2ncnc3cc(Br)c(F)cc23)C1.Cc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F.
What is the InChIKey of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane?
The InChIKey is GQQUQSPRSMROFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S.C15H18BrFN4O2S.CH4/c1-11-6-15-13(7-14(11)17)16(19-10-18-15)21-5-3-4-12(9-21)8-20-24(2,22)23;1-24(22,23)20-7-10-3-2-4-21(8-10)15-11-5-13(17)12(16)6-14(11)18-9-19-15;/h6-7,10,12,20H,3-5,8-9H2,1-2H3;5-6,9-10,20H,2-4,7-8H2,1H3;1H4.
What are the key properties of N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane?
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane has a molecular weight of 785.78 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane is sourced from PubChem (CID 158336626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).