About N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide
N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 161205199) has the molecular formula C170H172Cl8F14N34O30S9
and a molecular weight of 4009.65 g/mol. Its IUPAC name is N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide.
Frequently Asked Questions
What is the IUPAC name of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide (CID 161205199) is N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)c(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2C)c1F.CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.CCCS(=O)(=O)Nc1ncc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1Cl.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Nc2cccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12.Cc1c(Oc2c(F)ccc(NS(=O)(=O)CCCF)c2Cl)ccc2ncn(C)c(=O)c12.
What is the InChIKey of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is UVMSHGJGKFFHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H19ClF2N4O3S.C19H18ClF2N3O4S.2C19H20ClFN4O3S.C19H19ClFN3O4S.C19H20F2N4O3S.C18H18ClFN4O4S/c2*1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21;1-4-7-30(28,29)25-14-8-11(21)17(22)18(16(14)20)24-12-5-6-13-15(10(12)2)19(27)26(3)9-23-13;1-11-15(7-6-13-16(11)19(26)25(2)10-23-13)29-18-12(22)4-5-14(17(18)20)24-30(27,28)9-3-8-21;1-12-13(7-8-14-17(12)19(26)25(2)11-22-14)23-15-5-3-6-16(18(15)20)24-29(27,28)10-4-9-21;1-4-9-29(27,28)24-15-6-5-12(21)18(17(15)20)23-13-7-8-14-16(11(13)2)19(26)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;1-4-9-29(27,28)24-15-6-5-12(20)18(17(15)21)23-13-7-8-14-16(11(13)2)19(26)25(3)10-22-14;1-4-7-29(26,27)23-17-15(19)16(11(20)8-21-17)28-13-6-5-12-14(10(13)2)18(25)24(3)9-22-12/h2*4-7,10,24-25H,3,8-9H2,1-2H3;5-6,8-9,24-25H,4,7H2,1-3H3;4-7,10,24H,3,8-9H2,1-2H3;3,5-8,11,23-24H,4,9-10H2,1-2H3;5-8,10,23-24H,4,9H2,1-3H3;5-8,10,23H,4,9H2,1-3H3;5-8,10,23-24H,4,9H2,1-3H3;5-6,8-9H,4,7H2,1-3H3,(H,21,23).
What are the key properties of N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 4009.65 g/mol, XLogP of 34.19, 58 rotatable bonds, 15 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4,5-difluorophenyl]propane-1-sulfonamide;bis(N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide);N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide;N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-3-(3,5-dimethyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-3-fluoropropane-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-5-fluoro-2-pyridinyl]propane-1-sulfonamide;N-[3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 161205199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).