N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide

C79H94F7N21O10S5 — CID 159297748

IUPACN-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CS(=O)(=O)CCC1CCN(c2ncnc3ccc(F)cc23)CC1.CS(=O)(=O)NCC1CCN(c2ncnc3ccc(F)cc23)C1.[C-]#[N+]c1cc2c(N3CCCC(C)(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2c(N3CCCC(F)(CNS(C)(=O)=O)C3)ncnc2cc1F
InChIInChI=1S/C17H20FN5O2S.C16H17F2N5O2S.C16H20F2N4O2S.C16H20FN3O2S.C14H17FN4O2S/c1-17(9-22-26(3,24)25)5-4-6-23(10-17)16-12-7-15(19-2)13(18)8-14(12)20-11-21-16;1-19-14-6-11-13(7-12(14)17)20-10-21-15(11)23-5-3-4-16(18,9-23)8-22-26(2,24)25;1-10(21-25(2,23)24)11-4-3-5-22(8-11)16-12-6-13(17)14(18)7-15(12)19-9-20-16;1-23(21,22)9-6-12-4-7-20(8-5-12)16-14-10-13(17)2-3-15(14)18-11-19-16;1-22(20,21)18-7-10-4-5-19(8-10)14-12-6-11(15)2-3-13(12)16-9-17-14/h7-8,11,22H,4-6,9-10H2,1,3H3;6-7,10,22H,3-5,8-9H2,2H3;6-7,9-11,21H,3-5,8H2,1-2H3;2-3,10-12H,4-9H2,1H3;2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyLAYCSKXKRQTWTG-UHFFFAOYSA-N
MW1791.08 g/mol
LogP10.28
Rot. Bonds20

About N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide

N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 159297748) has the molecular formula C79H94F7N21O10S5 and a molecular weight of 1791.08 g/mol. Its IUPAC name is N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID159297748
Molecular FormulaC79H94F7N21O10S5
Molecular Weight1791.08 g/mol
Exact Mass1789.60
IUPAC NameN-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CS(=O)(=O)CCC1CCN(c2ncnc3ccc(F)cc23)CC1.CS(=O)(=O)NCC1CCN(c2ncnc3ccc(F)cc23)C1.[C-]#[N+]c1cc2c(N3CCCC(C)(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2c(N3CCCC(F)(CNS(C)(=O)=O)C3)ncnc2cc1F
InChIInChI=1S/C17H20FN5O2S.C16H17F2N5O2S.C16H20F2N4O2S.C16H20FN3O2S.C14H17FN4O2S/c1-17(9-22-26(3,24)25)5-4-6-23(10-17)16-12-7-15(19-2)13(18)8-14(12)20-11-21-16;1-19-14-6-11-13(7-12(14)17)20-10-21-15(11)23-5-3-4-16(18,9-23)8-22-26(2,24)25;1-10(21-25(2,23)24)11-4-3-5-22(8-11)16-12-6-13(17)14(18)7-15(12)19-9-20-16;1-23(21,22)9-6-12-4-7-20(8-5-12)16-14-10-13(17)2-3-15(14)18-11-19-16;1-22(20,21)18-7-10-4-5-19(8-10)14-12-6-11(15)2-3-13(12)16-9-17-14/h7-8,11,22H,4-6,9-10H2,1,3H3;6-7,10,22H,3-5,8-9H2,2H3;6-7,9-11,21H,3-5,8H2,1-2H3;2-3,10-12H,4-9H2,1H3;2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyLAYCSKXKRQTWTG-UHFFFAOYSA-N
XLogP10.28
TPSA372.64 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001791.08
LogP ≤ 510.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 159297748) is N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is CC(NS(C)(=O)=O)C1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CS(=O)(=O)CCC1CCN(c2ncnc3ccc(F)cc23)CC1.CS(=O)(=O)NCC1CCN(c2ncnc3ccc(F)cc23)C1.[C-]#[N+]c1cc2c(N3CCCC(C)(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2c(N3CCCC(F)(CNS(C)(=O)=O)C3)ncnc2cc1F.
What is the InChIKey of N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is LAYCSKXKRQTWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2S.C16H17F2N5O2S.C16H20F2N4O2S.C16H20FN3O2S.C14H17FN4O2S/c1-17(9-22-26(3,24)25)5-4-6-23(10-17)16-12-7-15(19-2)13(18)8-14(12)20-11-21-16;1-19-14-6-11-13(7-12(14)17)20-10-21-15(11)23-5-3-4-16(18,9-23)8-22-26(2,24)25;1-10(21-25(2,23)24)11-4-3-5-22(8-11)16-12-6-13(17)14(18)7-15(12)19-9-20-16;1-23(21,22)9-6-12-4-7-20(8-5-12)16-14-10-13(17)2-3-15(14)18-11-19-16;1-22(20,21)18-7-10-4-5-19(8-10)14-12-6-11(15)2-3-13(12)16-9-17-14/h7-8,11,22H,4-6,9-10H2,1,3H3;6-7,10,22H,3-5,8-9H2,2H3;6-7,9-11,21H,3-5,8H2,1-2H3;2-3,10-12H,4-9H2,1H3;2-3,6,9-10,18H,4-5,7-8H2,1H3.
What are the key properties of N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 1791.08 g/mol, XLogP of 10.28, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;6-fluoro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]quinazoline;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 159297748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).