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

C107H131ClF5N21O14S7 — CID 160785951

IUPAC6-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
SMILESCS(=O)(=O)CC1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3cc(F)ccc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccc(Cl)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccc(F)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccccc23)C1.Cc1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.Cc1ccc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2c1
InChIInChI=1S/C16H20FN3O2S.C16H21N3O2S.C15H18ClN3O2S.C15H17F2N3O2S.2C15H18FN3O2S.C15H19N3O2S/c1-11-6-13-15(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;1-23(21,22)8-10-3-2-4-20(7-10)15-11-5-12(16)13(17)6-14(11)18-9-19-15;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;1-22(20,21)9-11-3-2-6-19(8-11)15-13-5-4-12(16)7-14(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/h6-7,10,12H,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;5-6,9-10H,2-4,7-8H2,1H3;2*4-5,7,10-11H,2-3,6,8-9H2,1H3;2-3,6-7,11-12H,4-5,8-10H2,1H3
InChIKeySBFAGPAJDPALJB-UHFFFAOYSA-N
MW2290.27 g/mol
LogP15.20
Rot. Bonds21

About 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

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 (PubChem CID 160785951) has the molecular formula C107H131ClF5N21O14S7 and a molecular weight of 2290.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID160785951
Molecular FormulaC107H131ClF5N21O14S7
Molecular Weight2290.27 g/mol
Exact Mass2287.78
IUPAC Name6-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
SMILESCS(=O)(=O)CC1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3cc(F)ccc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccc(Cl)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccc(F)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccccc23)C1.Cc1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.Cc1ccc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2c1
InChIInChI=1S/C16H20FN3O2S.C16H21N3O2S.C15H18ClN3O2S.C15H17F2N3O2S.2C15H18FN3O2S.C15H19N3O2S/c1-11-6-13-15(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;1-23(21,22)8-10-3-2-4-20(7-10)15-11-5-12(16)13(17)6-14(11)18-9-19-15;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;1-22(20,21)9-11-3-2-6-19(8-11)15-13-5-4-12(16)7-14(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/h6-7,10,12H,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;5-6,9-10H,2-4,7-8H2,1H3;2*4-5,7,10-11H,2-3,6,8-9H2,1H3;2-3,6-7,11-12H,4-5,8-10H2,1H3
InChIKeySBFAGPAJDPALJB-UHFFFAOYSA-N
XLogP15.20
TPSA442.12 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.27
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

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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
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 86882662
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide
CID 142582682
6-fluoro-4-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275711
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
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
4-[3-(2-chloroethyl)piperidin-1-yl]quinazoline
CID 63389905
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
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;6,7-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)CC1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3cc(F)ccc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccc(Cl)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccc(F)cc23)C1.CS(=O)(=O)CC1CCCN(c2ncnc3ccccc23)C1.Cc1cc2c(N3CCCC(CS(C)(=O)=O)C3)ncnc2cc1F.Cc1ccc2ncnc(N3CCCC(CS(C)(=O)=O)C3)c2c1.
What is the InChIKey of 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?
The InChIKey is SBFAGPAJDPALJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S.C16H21N3O2S.C15H18ClN3O2S.C15H17F2N3O2S.2C15H18FN3O2S.C15H19N3O2S/c1-11-6-13-15(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;1-23(21,22)8-10-3-2-4-20(7-10)15-11-5-12(16)13(17)6-14(11)18-9-19-15;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;1-22(20,21)9-11-3-2-6-19(8-11)15-13-5-4-12(16)7-14(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/h6-7,10,12H,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;5-6,9-10H,2-4,7-8H2,1H3;2*4-5,7,10-11H,2-3,6,8-9H2,1H3;2-3,6-7,11-12H,4-5,8-10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2290.27 g/mol, XLogP of 15.20, 21 rotatable bonds, 0 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;6,7-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 is sourced from PubChem (CID 160785951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).