6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one

C215H238Br5Cl7N46O29 — CID 157326524

About 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one

6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one (PubChem CID 157326524) has the molecular formula C215H238Br5Cl7N46O29 and a molecular weight of 4578.25 g/mol. Its IUPAC name is 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one.

Molecular Properties

• Compound Name: 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
• PubChem CID: 157326524
• Molecular Formula: C215H238Br5Cl7N46O29
• Molecular Weight: 4578.25 g/mol
• Exact Mass: 4567.23
• IUPAC Name: 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
• SMILES: C.C.C.C.C.C.C.C.CC(=O)Cc1nc(C)no1.CCc1ccc2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C#N)c2c1.CCc1ccc2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(Cl)c2c1.CCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C#N)c2c1.CCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(Cl)c2c1.CCc1ccc2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C#N)c2c1.CCc1ccc2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(Cl)c2c1.Cc1noc(-c2c(Cl)nc3ccc(Br)cc3c2Cl)n1.Cc1noc(-c2c(Cl)nc3ccc(Br)cc3c2N2CCC3(CC2)OCCO3)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3ccc(Br)cc3c2Cl)n1.Cc1noc(-c2c(O)c3cc(Br)ccc3[nH]c2=O)n1.O=c1[nH]c2ccc(Br)cc2c(=O)o1
• InChI: InChI=1S/C25H30N6O2.C24H30ClN5O2.C22H23N5O3.C21H23ClN4O3.C20H19N5O2.2C19H18BrClN4O3.C19H19ClN4O2.C12H6BrCl2N3O.C12H8BrN3O3.C8H4BrNO3.C6H8N2O2.8CH4/c1-3-17-4-5-22-20(14-17)21(15-26)23(25-27-16(2)30-33-25)24(29-22)31-10-6-18(7-11-31)28-19-8-12-32-13-9-19;1-3-16-4-5-20-19(14-16)22(25)21(24-26-15(2)29-32-24)23(28-20)30-10-6-17(7-11-30)27-18-8-12-31-13-9-18;1-3-15-4-5-18-16(12-15)17(13-23)19(21-24-14(2)26-30-21)20(25-18)27-8-6-22(7-9-27)28-10-11-29-22;1-3-14-4-5-16-15(12-14)18(22)17(20-23-13(2)25-29-20)19(24-16)26-8-6-21(7-9-26)27-10-11-28-21;1-3-13-4-5-17-15(10-13)16(11-21)18(20-22-12(2)24-27-20)19(23-17)25-8-6-14(26)7-9-25;1-11-22-18(28-24-11)15-16(13-10-12(20)2-3-14(13)23-17(15)21)25-6-4-19(5-7-25)26-8-9-27-19;1-11-22-18(28-24-11)15-16(21)13-10-12(20)2-3-14(13)23-17(15)25-6-4-19(5-7-25)26-8-9-27-19;1-3-12-4-5-15-14(10-12)17(20)16(19-21-11(2)23-26-19)18(22-15)24-8-6-13(25)7-9-24;1-5-16-12(19-18-5)9-10(14)7-4-6(13)2-3-8(7)17-11(9)15;1-5-14-12(19-16-5)9-10(17)7-4-6(13)2-3-8(7)15-11(9)18;9-4-1-2-6-5(3-4)7(11)13-8(12)10-6;1-4(9)3-6-7-5(2)8-10-6;;;;;;;;/h4-5,14,18-19,28H,3,6-13H2,1-2H3;4-5,14,17-18,27H,3,6-13H2,1-2H3;4-5,12H,3,6-11H2,1-2H3;4-5,12H,3,6-11H2,1-2H3;4-5,10H,3,6-9H2,1-2H3;2*2-3,10H,4-9H2,1H3;4-5,10H,3,6-9H2,1-2H3;2-4H,1H3;2-4H,1H3,(H2,15,17,18);1-3H,(H,10,12);3H2,1-2H3;8*1H4
• InChIKey: BEUFTUIYECTYIY-UHFFFAOYSA-N
• XLogP: 45.57
• TPSA: 925.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 73
• Rotatable Bonds: 30
• Heavy Atoms: 302
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4578.25
LogP ≤ 5	45.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?

The IUPAC name of 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one (CID 157326524) is 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one.

What is the SMILES notation for 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?

The canonical SMILES for 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one is C.C.C.C.C.C.C.C.CC(=O)Cc1nc(C)no1.CCc1ccc2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C#N)c2c1.CCc1ccc2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(Cl)c2c1.CCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C#N)c2c1.CCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(Cl)c2c1.CCc1ccc2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C#N)c2c1.CCc1ccc2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(Cl)c2c1.Cc1noc(-c2c(Cl)nc3ccc(Br)cc3c2Cl)n1.Cc1noc(-c2c(Cl)nc3ccc(Br)cc3c2N2CCC3(CC2)OCCO3)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3ccc(Br)cc3c2Cl)n1.Cc1noc(-c2c(O)c3cc(Br)ccc3[nH]c2=O)n1.O=c1[nH]c2ccc(Br)cc2c(=O)o1.

What is the InChIKey of 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?

The InChIKey is BEUFTUIYECTYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2.C24H30ClN5O2.C22H23N5O3.C21H23ClN4O3.C20H19N5O2.2C19H18BrClN4O3.C19H19ClN4O2.C12H6BrCl2N3O.C12H8BrN3O3.C8H4BrNO3.C6H8N2O2.8CH4/c1-3-17-4-5-22-20(14-17)21(15-26)23(25-27-16(2)30-33-25)24(29-22)31-10-6-18(7-11-31)28-19-8-12-32-13-9-19;1-3-16-4-5-20-19(14-16)22(25)21(24-26-15(2)29-32-24)23(28-20)30-10-6-17(7-11-30)27-18-8-12-31-13-9-18;1-3-15-4-5-18-16(12-15)17(13-23)19(21-24-14(2)26-30-21)20(25-18)27-8-6-22(7-9-27)28-10-11-29-22;1-3-14-4-5-16-15(12-14)18(22)17(20-23-13(2)25-29-20)19(24-16)26-8-6-21(7-9-26)27-10-11-28-21;1-3-13-4-5-17-15(10-13)16(11-21)18(20-22-12(2)24-27-20)19(23-17)25-8-6-14(26)7-9-25;1-11-22-18(28-24-11)15-16(13-10-12(20)2-3-14(13)23-17(15)21)25-6-4-19(5-7-25)26-8-9-27-19;1-11-22-18(28-24-11)15-16(21)13-10-12(20)2-3-14(13)23-17(15)25-6-4-19(5-7-25)26-8-9-27-19;1-3-12-4-5-15-14(10-12)17(20)16(19-21-11(2)23-26-19)18(22-15)24-8-6-13(25)7-9-24;1-5-16-12(19-18-5)9-10(14)7-4-6(13)2-3-8(7)17-11(9)15;1-5-14-12(19-16-5)9-10(17)7-4-6(13)2-3-8(7)15-11(9)18;9-4-1-2-6-5(3-4)7(11)13-8(12)10-6;1-4(9)3-6-7-5(2)8-10-6;;;;;;;;/h4-5,14,18-19,28H,3,6-13H2,1-2H3;4-5,14,17-18,27H,3,6-13H2,1-2H3;4-5,12H,3,6-11H2,1-2H3;4-5,12H,3,6-11H2,1-2H3;4-5,10H,3,6-9H2,1-2H3;2*2-3,10H,4-9H2,1H3;4-5,10H,3,6-9H2,1-2H3;2-4H,1H3;2-4H,1H3,(H2,15,17,18);1-3H,(H,10,12);3H2,1-2H3;8*1H4.

What are the key properties of 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?

6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one has a molecular weight of 4578.25 g/mol, XLogP of 45.57, 30 rotatable bonds, 5 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-3,1-benzoxazine-2,4-dione;8-[6-bromo-2-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;8-[6-bromo-4-chloro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;5-(6-bromo-2,4-dichloroquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;6-bromo-4-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-quinolin-2-one;8-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[4-chloro-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-4-carbonitrile;6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-4-carbonitrile;methane;1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one is sourced from PubChem (CID 157326524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).