About (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
(2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 157311565) has the molecular formula C155H142ClF17N30O30S6
and a molecular weight of 3455.84 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
Frequently Asked Questions
What is the IUPAC name of (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 157311565) is (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4C(F)(F)F)c3)cc2c1=O.CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4C(F)(F)F)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(Cl)c(F)cc4F)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4C(F)(F)F)c3)cc2c1=O.
What is the InChIKey of (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is BDCGKSWNVKNYCX-DFHIFAKZSA-N. The full InChI is InChI=1S/5C26H24F3N5O5S.C25H22ClF2N5O5S/c2*1-15(23(35)30-2)13-34-14-32-21-8-7-16(9-20(21)25(34)36)17-10-22(24(39-3)31-12-17)33-40(37,38)19-6-4-5-18(11-19)26(27,28)29;3*1-15(23(35)30-2)13-34-14-32-20-9-8-16(10-18(20)25(34)36)17-11-21(24(39-3)31-12-17)33-40(37,38)22-7-5-4-6-19(22)26(27,28)29;1-13(23(34)29-2)11-33-12-31-20-5-4-14(6-16(20)25(33)35)15-7-21(24(38-3)30-10-15)32-39(36,37)22-8-17(26)18(27)9-19(22)28/h5*4-12,14-15,33H,13H2,1-3H3,(H,30,35);4-10,12-13,32H,11H2,1-3H3,(H,29,34)/t5*15-;13-/m101001/s1.
What are the key properties of (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
(2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 3455.84 g/mol, XLogP of 21.93, 48 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-[5-[(5-chloro-2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;bis((2S)-3-[6-[6-methoxy-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide);(2R)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 157311565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).