About (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide (PubChem CID 159728479) has the molecular formula C133H128Cl5F6N27O23S5
and a molecular weight of 2924.24 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide.
Frequently Asked Questions
What is the IUPAC name of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide?
The IUPAC name of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide (CID 159728479) is (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide.
What is the SMILES notation for (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide?
The canonical SMILES for (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide is CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(N(C)C)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2cc(F)c(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O.CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(N(C)C)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O.COc1ncc(-c2ccc3ncn(C[C@@H](C)C(=O)N[C@H]4C[C@@H]4C)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl.COc1ncc(-c2ccc3ncn(C[C@H](C)C(=O)N[C@H]4C[C@@H]4C)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide?
The InChIKey is NAXWRBDKULYJDR-KBYNGEEMSA-N. The full InChI is InChI=1S/2C28H27ClFN5O5S.2C26H26ClFN6O4S.C25H22ClF2N5O5S/c2*1-15-8-23(15)33-26(36)16(2)13-35-14-32-22-6-4-17(9-20(22)28(35)37)18-10-24(27(40-3)31-12-18)34-41(38,39)25-7-5-19(30)11-21(25)29;2*1-15(25(35)29-2)13-34-14-31-21-7-5-16(9-19(21)26(34)36)17-10-22(24(30-12-17)33(3)4)32-39(37,38)23-8-6-18(28)11-20(23)27;1-13(23(34)29-2)11-33-12-31-20-9-19(28)16(8-17(20)25(33)35)14-6-21(24(38-3)30-10-14)32-39(36,37)22-5-4-15(27)7-18(22)26/h2*4-7,9-12,14-16,23,34H,8,13H2,1-3H3,(H,33,36);2*5-12,14-15,32H,13H2,1-4H3,(H,29,35);4-10,12-13,32H,11H2,1-3H3,(H,29,34)/t15-,16+,23-;15-,16-,23-;2*15-;13-/m00101/s1.
What are the key properties of (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide?
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide has a molecular weight of 2924.24 g/mol, XLogP of 19.02, 42 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(dimethylamino)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-7-fluoro-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide;(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide;(2S)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-methyl-N-[(1S,2S)-2-methylcyclopropyl]propanamide is sourced from PubChem (CID 159728479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).