2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

C59H65Cl3F4N10O4S2 — CID 160871426

IUPAC2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
SMILESC.CN(C)C1CCC(N)CC1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1cc(F)c2nc(Cl)ncc2c1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1cc(F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1
InChIInChI=1S/C29H30ClF2N5O2S.C21H13Cl2F2N3O2S.C8H18N2.CH4/c1-17-22(14-24(31)26(34-17)16-40(38,39)27-7-5-4-6-23(27)30)18-12-19-15-33-29(36-28(19)25(32)13-18)35-20-8-10-21(11-9-20)37(2)3;1-11-14(12-6-13-9-26-21(23)28-20(13)17(25)7-12)8-16(24)18(27-11)10-31(29,30)19-5-3-2-4-15(19)22;1-10(2)8-5-3-7(9)4-6-8;/h4-7,12-15,20-21H,8-11,16H2,1-3H3,(H,33,35,36);2-9H,10H2,1H3;7-8H,3-6,9H2,1-2H3;1H4
InChIKeySLUQYOYPAVXYTM-UHFFFAOYSA-N
MW1224.72 g/mol
LogP13.20
Rot. Bonds12

About 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (PubChem CID 160871426) has the molecular formula C59H65Cl3F4N10O4S2 and a molecular weight of 1224.72 g/mol. Its IUPAC name is 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.

Molecular Properties

Compound Name2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
PubChem CID160871426
Molecular FormulaC59H65Cl3F4N10O4S2
Molecular Weight1224.72 g/mol
Exact Mass1222.36
IUPAC Name2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
SMILESC.CN(C)C1CCC(N)CC1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1cc(F)c2nc(Cl)ncc2c1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1cc(F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1
InChIInChI=1S/C29H30ClF2N5O2S.C21H13Cl2F2N3O2S.C8H18N2.CH4/c1-17-22(14-24(31)26(34-17)16-40(38,39)27-7-5-4-6-23(27)30)18-12-19-15-33-29(36-28(19)25(32)13-18)35-20-8-10-21(11-9-20)37(2)3;1-11-14(12-6-13-9-26-21(23)28-20(13)17(25)7-12)8-16(24)18(27-11)10-31(29,30)19-5-3-2-4-15(19)22;1-10(2)8-5-3-7(9)4-6-8;/h4-7,12-15,20-21H,8-11,16H2,1-3H3,(H,33,35,36);2-9H,10H2,1H3;7-8H,3-6,9H2,1-2H3;1H4
InChIKeySLUQYOYPAVXYTM-UHFFFAOYSA-N
XLogP13.20
TPSA190.15 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001224.72
LogP ≤ 513.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane with MolForge

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Related Compounds

3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]quinolin-4-amine
CID 126531397
N-(3-(2-(((1R,4R)-4-aminocyclohexyl) amino)quinazolin-6-yl)-2,4-difluorophenyl)-2-chlorobenzenesulfon-amide 2,2,2-trifluoroacetate
CID 176318159
2-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino) quinazolin-6-yl)-2,4-difluorophenyl)ben-zenesulfonamide
CID 176863729
2-chloro-N-(3-(8-ethyl-2-(((1R,4R)-4-(methylamino)cyclo-hexyl)amino)quina-zolin-6-yl)-2,4-difluorophenyl)ben-zenesulfonamide
CID 177753020
5-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino) quinazolin-6-yl)-2,4-difluorophenyl)-2-methylpyridine-3-sulfonamide
CID 177753021
2-chloro-N-(2,4-difluoro-3-(2-(((1R,4R)-4-(methylamino)cyclo-hexyl)amino)quina-zolin-6-yl)phenyl)benzene-sulfonamide
CID 177753049
N-(3-(2-(((1R,4R)-4-aminocyclohexyl) amino)-8-ethylquinazolin-6-yl)-2,4-difluorophenyl)-2-chlorobenzenesulfon-amide
CID 177753066
2-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino)-8-ethylquinazolin-6-yl)-2,4-difluorophenyl)ben-zenesulfonamide
CID 177753087
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 67118742
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 67118743
N-(3-chloro-4-fluorophenyl)-6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71181143
3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[1-(2-fluorophenyl)ethyl]-2-methylquinolin-4-amine
CID 126531280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The IUPAC name of 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (CID 160871426) is 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.
What is the SMILES notation for 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The canonical SMILES for 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is C.CN(C)C1CCC(N)CC1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1cc(F)c2nc(Cl)ncc2c1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1-c1cc(F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1.
What is the InChIKey of 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The InChIKey is SLUQYOYPAVXYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF2N5O2S.C21H13Cl2F2N3O2S.C8H18N2.CH4/c1-17-22(14-24(31)26(34-17)16-40(38,39)27-7-5-4-6-23(27)30)18-12-19-15-33-29(36-28(19)25(32)13-18)35-20-8-10-21(11-9-20)37(2)3;1-11-14(12-6-13-9-26-21(23)28-20(13)17(25)7-12)8-16(24)18(27-11)10-31(29,30)19-5-3-2-4-15(19)22;1-10(2)8-5-3-7(9)4-6-8;/h4-7,12-15,20-21H,8-11,16H2,1-3H3,(H,33,35,36);2-9H,10H2,1H3;7-8H,3-6,9H2,1-2H3;1H4.
What are the key properties of 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane has a molecular weight of 1224.72 g/mol, XLogP of 13.20, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methyl-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is sourced from PubChem (CID 160871426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).