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

C106H125ClF4N24O14S7 — CID 163643142

IUPAC6-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
SMILESCS(=O)(=O)CC1CCCN(c2ncnc3ccc(Cl)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccccc23)C1.CS(=O)(=O)NC1CN(c2ncnc3ccc(F)cc23)C1.Cc1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.Cc1ccc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2c1.[C-]#[N+]c1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/2C16H17FN4O2S.C16H20FN3O2S.C16H21N3O2S.C15H18ClN3O2S.C15H19N3O2S.C12H13FN4O2S/c1-18-15-6-12-14(7-13(15)17)19-10-20-16(12)21-5-3-4-11(8-21)9-24(2,22)23;1-18-15-7-14-12(6-13(15)17)16(20-10-19-14)21-5-3-4-11(8-21)9-24(2,22)23;1-11-6-13-15(7-14(11)17)18-10-19-16(13)20-5-3-4-12(8-20)9-23(2,21)22;1-12-5-6-15-14(8-12)16(18-11-17-15)19-7-3-4-13(9-19)10-22(2,20)21;1-22(20,21)9-11-3-2-6-19(8-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-21(19,20)10-12-5-4-8-18(9-12)15-13-6-2-3-7-14(13)16-11-17-15;1-20(18,19)16-9-5-17(6-9)12-10-4-8(13)2-3-11(10)14-7-15-12/h2*6-7,10-11H,3-5,8-9H2,2H3;6-7,10,12H,3-5,8-9H2,1-2H3;5-6,8,11,13H,3-4,7,9-10H2,1-2H3;4-5,7,10-11H,2-3,6,8-9H2,1H3;2-3,6-7,11-12H,4-5,8-10H2,1H3;2-4,7,9,16H,5-6H2,1H3
InChIKeyIGADIAIOSJNAPY-UHFFFAOYSA-N
MW2295.23 g/mol
LogP14.64
Rot. Bonds21

About 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

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 (PubChem CID 163643142) has the molecular formula C106H125ClF4N24O14S7 and a molecular weight of 2295.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID163643142
Molecular FormulaC106H125ClF4N24O14S7
Molecular Weight2295.23 g/mol
Exact Mass2292.75
IUPAC Name6-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
SMILESCS(=O)(=O)CC1CCCN(c2ncnc3ccc(Cl)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccccc23)C1.CS(=O)(=O)NC1CN(c2ncnc3ccc(F)cc23)C1.Cc1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.Cc1ccc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2c1.[C-]#[N+]c1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2cc1F
InChIInChI=1S/2C16H17FN4O2S.C16H20FN3O2S.C16H21N3O2S.C15H18ClN3O2S.C15H19N3O2S.C12H13FN4O2S/c1-18-15-6-12-14(7-13(15)17)19-10-20-16(12)21-5-3-4-11(8-21)9-24(2,22)23;1-18-15-7-14-12(6-13(15)17)16(20-10-19-14)21-5-3-4-11(8-21)9-24(2,22)23;1-11-6-13-15(7-14(11)17)18-10-19-16(13)20-5-3-4-12(8-20)9-23(2,21)22;1-12-5-6-15-14(8-12)16(18-11-17-15)19-7-3-4-13(9-19)10-22(2,20)21;1-22(20,21)9-11-3-2-6-19(8-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-21(19,20)10-12-5-4-8-18(9-12)15-13-6-2-3-7-14(13)16-11-17-15;1-20(18,19)16-9-5-17(6-9)12-10-4-8(13)2-3-11(10)14-7-15-12/h2*6-7,10-11H,3-5,8-9H2,2H3;6-7,10,12H,3-5,8-9H2,1-2H3;5-6,8,11,13H,3-4,7,9-10H2,1-2H3;4-5,7,10-11H,2-3,6,8-9H2,1H3;2-3,6-7,11-12H,4-5,8-10H2,1H3;2-4,7,9,16H,5-6H2,1H3
InChIKeyIGADIAIOSJNAPY-UHFFFAOYSA-N
XLogP14.64
TPSA462.87 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002295.23
LogP ≤ 514.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
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
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
N-(1-quinazolin-4-ylpiperidin-3-yl)propane-2-sulfonamide
CID 175650317
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 86882662
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-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829981
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-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)CC1CCCN(c2ncnc3ccc(Cl)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccccc23)C1.CS(=O)(=O)NC1CN(c2ncnc3ccc(F)cc23)C1.Cc1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.Cc1ccc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2c1.[C-]#[N+]c1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2cc1F.
What is the InChIKey of 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?
The InChIKey is IGADIAIOSJNAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17FN4O2S.C16H20FN3O2S.C16H21N3O2S.C15H18ClN3O2S.C15H19N3O2S.C12H13FN4O2S/c1-18-15-6-12-14(7-13(15)17)19-10-20-16(12)21-5-3-4-11(8-21)9-24(2,22)23;1-18-15-7-14-12(6-13(15)17)16(20-10-19-14)21-5-3-4-11(8-21)9-24(2,22)23;1-11-6-13-15(7-14(11)17)18-10-19-16(13)20-5-3-4-12(8-20)9-23(2,21)22;1-12-5-6-15-14(8-12)16(18-11-17-15)19-7-3-4-13(9-19)10-22(2,20)21;1-22(20,21)9-11-3-2-6-19(8-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-21(19,20)10-12-5-4-8-18(9-12)15-13-6-2-3-7-14(13)16-11-17-15;1-20(18,19)16-9-5-17(6-9)12-10-4-8(13)2-3-11(10)14-7-15-12/h2*6-7,10-11H,3-5,8-9H2,2H3;6-7,10,12H,3-5,8-9H2,1-2H3;5-6,8,11,13H,3-4,7,9-10H2,1-2H3;4-5,7,10-11H,2-3,6,8-9H2,1H3;2-3,6-7,11-12H,4-5,8-10H2,1H3;2-4,7,9,16H,5-6H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2295.23 g/mol, XLogP of 14.64, 21 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163643142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).