N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide

C195H199Cl10F11N40O32S10 — CID 167677827

IUPACN-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(Cl)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(CC(F)(F)F)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1nccc(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCN(C)S(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC(C)C)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC3CC3)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2c(F)ccc(NS(=O)(=O)c3ccccc3)c2Cl)ccc2ncn(C)c(=O)c12
InChIInChI=1S/C22H18ClFN4O3S.C20H19ClF4N4O3S.C20H20ClFN4O3S.C20H22ClFN4O3S.C20H23FN4O3S.C19H20Cl2N4O3S.C19H21ClFN5O3S.C19H19ClFN3O4S.C18H18ClFN4O3S.C18H19ClN4O4S/c1-13-16(10-11-17-19(13)22(29)28(2)12-25-17)26-21-15(24)8-9-18(20(21)23)27-32(30,31)14-6-4-3-5-7-14;1-3-8-33(31,32)28-15-5-4-12(22)18(17(15)21)27-13-6-7-14-16(11(13)2)19(30)29(10-26-14)9-20(23,24)25;1-11-14(7-8-15-17(11)20(27)26(2)10-23-15)24-19-13(22)5-6-16(18(19)21)25-30(28,29)9-12-3-4-12;1-11(2)9-30(28,29)25-16-6-5-13(22)19(18(16)21)24-14-7-8-15-17(12(14)3)20(27)26(4)10-23-15;1-5-8-29(27,28)24-17-10-12(2)9-16(19(17)21)23-14-6-7-15-18(13(14)3)20(26)25(4)11-22-15;1-4-7-29(27,28)24-16-9-12(20)8-15(18(16)21)23-13-5-6-14-17(11(13)2)19(26)25(3)10-22-14;1-5-26(4)30(28,29)24-15-7-6-12(21)18(17(15)20)23-13-8-9-14-16(11(13)2)19(27)25(3)10-22-14;1-4-9-29(26,27)23-14-6-5-12(21)18(17(14)20)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-28(26,27)23-14-6-5-11(20)17(16(14)19)22-12-7-8-13-15(10(12)2)18(25)24(3)9-21-13;1-4-9-28(25,26)22-17-16(19)14(7-8-20-17)27-13-6-5-12-15(11(13)2)18(24)23(3)10-21-12/h3-12,26-27H,1-2H3;4-7,10,27-28H,3,8-9H2,1-2H3;5-8,10,12,24-25H,3-4,9H2,1-2H3;5-8,10-11,24-25H,9H2,1-4H3;6-7,9-11,23-24H,5,8H2,1-4H3;5-6,8-10,23-24H,4,7H2,1-3H3;6-10,23-24H,5H2,1-4H3;5-8,10,23H,4,9H2,1-3H3;5-9,22-23H,4H2,1-3H3;5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyVBQXOEHSPKLBRW-UHFFFAOYSA-N
MW4499.16 g/mol
LogP39.81
Rot. Bonds59

About N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide

N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide (PubChem CID 167677827) has the molecular formula C195H199Cl10F11N40O32S10 and a molecular weight of 4499.16 g/mol. Its IUPAC name is N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide
PubChem CID167677827
Molecular FormulaC195H199Cl10F11N40O32S10
Molecular Weight4499.16 g/mol
Exact Mass4490.91
IUPAC NameN-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(Cl)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(CC(F)(F)F)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1nccc(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCN(C)S(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC(C)C)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC3CC3)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2c(F)ccc(NS(=O)(=O)c3ccccc3)c2Cl)ccc2ncn(C)c(=O)c12
InChIInChI=1S/C22H18ClFN4O3S.C20H19ClF4N4O3S.C20H20ClFN4O3S.C20H22ClFN4O3S.C20H23FN4O3S.C19H20Cl2N4O3S.C19H21ClFN5O3S.C19H19ClFN3O4S.C18H18ClFN4O3S.C18H19ClN4O4S/c1-13-16(10-11-17-19(13)22(29)28(2)12-25-17)26-21-15(24)8-9-18(20(21)23)27-32(30,31)14-6-4-3-5-7-14;1-3-8-33(31,32)28-15-5-4-12(22)18(17(15)21)27-13-6-7-14-16(11(13)2)19(30)29(10-26-14)9-20(23,24)25;1-11-14(7-8-15-17(11)20(27)26(2)10-23-15)24-19-13(22)5-6-16(18(19)21)25-30(28,29)9-12-3-4-12;1-11(2)9-30(28,29)25-16-6-5-13(22)19(18(16)21)24-14-7-8-15-17(12(14)3)20(27)26(4)10-23-15;1-5-8-29(27,28)24-17-10-12(2)9-16(19(17)21)23-14-6-7-15-18(13(14)3)20(26)25(4)11-22-15;1-4-7-29(27,28)24-16-9-12(20)8-15(18(16)21)23-13-5-6-14-17(11(13)2)19(26)25(3)10-22-14;1-5-26(4)30(28,29)24-15-7-6-12(21)18(17(15)20)23-13-8-9-14-16(11(13)2)19(27)25(3)10-22-14;1-4-9-29(26,27)23-14-6-5-12(21)18(17(14)20)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-28(26,27)23-14-6-5-11(20)17(16(14)19)22-12-7-8-13-15(10(12)2)18(25)24(3)9-21-13;1-4-9-28(25,26)22-17-16(19)14(7-8-20-17)27-13-6-5-12-15(11(13)2)18(24)23(3)10-21-12/h3-12,26-27H,1-2H3;4-7,10,27-28H,3,8-9H2,1-2H3;5-8,10,12,24-25H,3-4,9H2,1-2H3;5-8,10-11,24-25H,9H2,1-4H3;6-7,9-11,23-24H,5,8H2,1-4H3;5-6,8-10,23-24H,4,7H2,1-3H3;6-10,23-24H,5H2,1-4H3;5-8,10,23H,4,9H2,1-3H3;5-9,22-23H,4H2,1-3H3;5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyVBQXOEHSPKLBRW-UHFFFAOYSA-N
XLogP39.81
TPSA941.43 Ų
H-Bond Donors18
H-Bond Acceptors61
Rotatable Bonds59
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004499.16
LogP ≤ 539.81
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1061

Analyze N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide (CID 167677827) is N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(C)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1cc(Cl)cc(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(CC(F)(F)F)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1nccc(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCN(C)S(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC(C)C)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CC3CC3)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2c(F)ccc(NS(=O)(=O)c3ccccc3)c2Cl)ccc2ncn(C)c(=O)c12.
What is the InChIKey of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide?
The InChIKey is VBQXOEHSPKLBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O3S.C20H19ClF4N4O3S.C20H20ClFN4O3S.C20H22ClFN4O3S.C20H23FN4O3S.C19H20Cl2N4O3S.C19H21ClFN5O3S.C19H19ClFN3O4S.C18H18ClFN4O3S.C18H19ClN4O4S/c1-13-16(10-11-17-19(13)22(29)28(2)12-25-17)26-21-15(24)8-9-18(20(21)23)27-32(30,31)14-6-4-3-5-7-14;1-3-8-33(31,32)28-15-5-4-12(22)18(17(15)21)27-13-6-7-14-16(11(13)2)19(30)29(10-26-14)9-20(23,24)25;1-11-14(7-8-15-17(11)20(27)26(2)10-23-15)24-19-13(22)5-6-16(18(19)21)25-30(28,29)9-12-3-4-12;1-11(2)9-30(28,29)25-16-6-5-13(22)19(18(16)21)24-14-7-8-15-17(12(14)3)20(27)26(4)10-23-15;1-5-8-29(27,28)24-17-10-12(2)9-16(19(17)21)23-14-6-7-15-18(13(14)3)20(26)25(4)11-22-15;1-4-7-29(27,28)24-16-9-12(20)8-15(18(16)21)23-13-5-6-14-17(11(13)2)19(26)25(3)10-22-14;1-5-26(4)30(28,29)24-15-7-6-12(21)18(17(15)20)23-13-8-9-14-16(11(13)2)19(27)25(3)10-22-14;1-4-9-29(26,27)23-14-6-5-12(21)18(17(14)20)28-15-8-7-13-16(11(15)2)19(25)24(3)10-22-13;1-4-28(26,27)23-14-6-5-11(20)17(16(14)19)22-12-7-8-13-15(10(12)2)18(25)24(3)9-21-13;1-4-9-28(25,26)22-17-16(19)14(7-8-20-17)27-13-6-5-12-15(11(13)2)18(24)23(3)10-21-12/h3-12,26-27H,1-2H3;4-7,10,27-28H,3,8-9H2,1-2H3;5-8,10,12,24-25H,3-4,9H2,1-2H3;5-8,10-11,24-25H,9H2,1-4H3;6-7,9-11,23-24H,5,8H2,1-4H3;5-6,8-10,23-24H,4,7H2,1-3H3;6-10,23-24H,5H2,1-4H3;5-8,10,23H,4,9H2,1-3H3;5-9,22-23H,4H2,1-3H3;5-8,10H,4,9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide?
N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide has a molecular weight of 4499.16 g/mol, XLogP of 39.81, 59 rotatable bonds, 18 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]benzenesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-1-cyclopropylmethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]ethanesulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-2-methylpropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]propane-1-sulfonamide;N-[3-chloro-4-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-2-pyridinyl]propane-1-sulfonamide;6-[2-chloro-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluoroanilino]-3,5-dimethyl-4-oxoquinazoline;N-[2-chloro-4-fluoro-3-[[5-methyl-4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-6-yl]amino]phenyl]propane-1-sulfonamide;N-[2,5-dichloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2-fluoro-5-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 167677827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).