N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide

C79H90F6N24O11S5 — CID 162171540

IUPACN-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=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.[C-]#[N+]c1cc2c(N3CCCC(O)(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/C17H20FN5O2S.C16H17F2N5O2S.C16H18FN5O3S.C16H18FN5O2S.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;1-18-14-6-11-13(7-12(14)17)19-10-20-15(11)22-5-3-4-16(23,9-22)8-21-26(2,24)25;1-18-15-7-14-12(6-13(15)17)16(20-10-19-14)22-5-3-4-11(9-22)8-21-25(2,23)24;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;6-7,10,21,23H,3-5,8-9H2,2H3;6-7,10-11,21H,3-5,8-9H2,2H3;2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyZNVZNXGAQZFJGY-UHFFFAOYSA-N
MW1826.07 g/mol
LogP9.08
Rot. Bonds20

About N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]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-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 162171540) has the molecular formula C79H90F6N24O11S5 and a molecular weight of 1826.07 g/mol. Its IUPAC name is N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID162171540
Molecular FormulaC79H90F6N24O11S5
Molecular Weight1826.07 g/mol
Exact Mass1824.57
IUPAC NameN-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESCS(=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.[C-]#[N+]c1cc2c(N3CCCC(O)(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/C17H20FN5O2S.C16H17F2N5O2S.C16H18FN5O3S.C16H18FN5O2S.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;1-18-14-6-11-13(7-12(14)17)19-10-20-15(11)22-5-3-4-16(23,9-22)8-21-26(2,24)25;1-18-15-7-14-12(6-13(15)17)16(20-10-19-14)22-5-3-4-11(9-22)8-21-25(2,23)24;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;6-7,10,21,23H,3-5,8-9H2,2H3;6-7,10-11,21H,3-5,8-9H2,2H3;2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyZNVZNXGAQZFJGY-UHFFFAOYSA-N
XLogP9.08
TPSA413.62 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001826.07
LogP ≤ 59.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6-fluoro-7-isocyano-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-6-isocyano-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;N-[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methanesulfonamide;6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline
CID 163643142
tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]carbamate;[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanamine;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;methanesulfonyl chloride;hydrochloride
CID 158804492
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
4-[3-[(cyclopropylsulfonylamino)methyl]piperidin-1-yl]-6-fluoroquinazoline-7-carboxamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]piperidine-1-sulfonamide;4-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]benzenesulfonamide;N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 158707010
N-[[1-(6-cyano-7-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-2-methylpropane-2-sulfonamide
CID 142582846
6-chloro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6,7-difluoro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6-fluoro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;7-fluoro-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;6-methyl-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline;4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline
CID 160785951
N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 142582779
4-chloro-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 139577516
4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 142582643
1-[1-(6-bromo-7-fluoroquinazolin-4-yl)-3-methylpiperidin-3-yl]-N-methylsulfanylmethanamine
CID 142582658
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 162171540) is N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is 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.[C-]#[N+]c1cc2c(N3CCCC(O)(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1F.
What is the InChIKey of N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ZNVZNXGAQZFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2S.C16H17F2N5O2S.C16H18FN5O3S.C16H18FN5O2S.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;1-18-14-6-11-13(7-12(14)17)19-10-20-15(11)22-5-3-4-16(23,9-22)8-21-26(2,24)25;1-18-15-7-14-12(6-13(15)17)16(20-10-19-14)22-5-3-4-11(9-22)8-21-25(2,23)24;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;6-7,10,21,23H,3-5,8-9H2,2H3;6-7,10-11,21H,3-5,8-9H2,2H3;2-3,6,9-10,18H,4-5,7-8H2,1H3.
What are the key properties of N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]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-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 1826.07 g/mol, XLogP of 9.08, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 162171540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).