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

C59H73F2N13O8S4 — CID 157303284

IUPAC7-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(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
InChIInChI=1S/C16H20FN3O2S.C16H21N3O2S.C15H19N3O2S.C12H13FN4O2S/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;1-21(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/h6-7,10,12H,3-5,8-9H2,1-2H3;5-6,8,11,13H,3-4,7,9-10H2,1-2H3;2-3,6-7,11-12H,4-5,8-10H2,1H3;2-4,7,9,16H,5-6H2,1H3
InChIKeyBCDPKTSJJJQMSW-UHFFFAOYSA-N
MW1258.58 g/mol
LogP6.94
Rot. Bonds12

About 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

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 157303284) has the molecular formula C59H73F2N13O8S4 and a molecular weight of 1258.58 g/mol. Its IUPAC name is 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 Name7-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 CID157303284
Molecular FormulaC59H73F2N13O8S4
Molecular Weight1258.58 g/mol
Exact Mass1257.46
IUPAC Name7-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(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
InChIInChI=1S/C16H20FN3O2S.C16H21N3O2S.C15H19N3O2S.C12H13FN4O2S/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;1-21(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/h6-7,10,12H,3-5,8-9H2,1-2H3;5-6,8,11,13H,3-4,7,9-10H2,1-2H3;2-3,6-7,11-12H,4-5,8-10H2,1H3;2-4,7,9,16H,5-6H2,1H3
InChIKeyBCDPKTSJJJQMSW-UHFFFAOYSA-N
XLogP6.94
TPSA264.67 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001258.58
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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

N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-fluoro-6-quinolin-6-ylpyrimidin-4-amine
CID 129033149
N-[2-(3,5-difluorophenyl)ethyl]-4-[3-[[2-(3,5-difluorophenyl)ethyl-[4-[3-[1-[2-(3,5-difluorophenyl)ethyl-[4-[5-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]-2-methylsulfonyl-3-[(3R)-pyrrolidin-3-yl]propyl]phenyl]pyrimidin-2-yl]amino]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 139292772
N-[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]-8-propan-2-ylquinazolin-6-yl]-6-methyl-2-pyridinyl]-1-phenylmethanesulfonamide
CID 155399425
N-[5-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-2-pyridinyl]-1-phenylmethanesulfonamide
CID 155399428
N-[5-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]-8-propan-2-ylquinazolin-6-yl]-2-pyridinyl]-1-phenylmethanesulfonamide
CID 155399429
N-[5-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-6-methyl-2-pyridinyl]-1-(2-fluorophenyl)methanesulfonamide
CID 155399568
6-(1-imino-1-oxothian-4-yl)-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]quinazolin-4-amine;2,2,2-trifluoro-N-[4-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-1-oxothian-1-ylidene]acetamide
CID 157672217
4-[[8-(6-Fluoro-3-pyridinyl)-6-(trifluoromethyl)quinazolin-2-yl]amino]benzenesulfonamide;4-[[8-[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]-6-(trifluoromethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 158297291
4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)phenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-[[3-(cyclopropylsulfonylmethyl)phenyl]methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine;5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 159271309
N-[1-[4-(1-aminopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(dimethylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;1-[1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]azetidin-3-yl]-3-[(6-methylquinazolin-4-yl)amino]propan-2-one;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-[(2,2,2-trifluoroacetyl)amino]propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide
CID 160072279
N-tert-butyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfonamide;N-[(5-fluoro-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;2-(5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-2-ylmethyl)quinazolin-4-amine;2-(5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 160890596
N-[1-[4-(1-acetamidopropyl)cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(carbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methanesulfonamido)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;N-[1-[4-[1-(methylcarbamoylamino)propyl]cyclohexyl]azetidin-3-yl]-3-[6-(trifluoromethyl)quinazolin-4-yl]propanamide;3-[6-(trifluoromethyl)quinazolin-4-yl]-N-[1-[4-[1-(trifluoromethylsulfonylamino)propyl]cyclohexyl]azetidin-3-yl]propanamide
CID 162002314

Frequently Asked Questions

What is the IUPAC name of 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 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 157303284) is 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 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 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(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.
What is the InChIKey of 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 BCDPKTSJJJQMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S.C16H21N3O2S.C15H19N3O2S.C12H13FN4O2S/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;1-21(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/h6-7,10,12H,3-5,8-9H2,1-2H3;5-6,8,11,13H,3-4,7,9-10H2,1-2H3;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 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?
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 1258.58 g/mol, XLogP of 6.94, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 157303284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).