2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine

C102H86Br2F15I2N13O18 — CID 167643074

IUPAC2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine
SMILESC.C.C.C.COc1c(C)c(-c2cn3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)nc2ccccc12.Cc1c(-c2cn3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.II.Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H18F3N3O3.C24H16F3N3O3.C13H12BrNO2.C12H7F3N2O4.C12H9F3N2O2.C7H5F3O2.C5H3BrN2O2.4CH4.I2/c1-15-23(30-20-6-4-3-5-19(20)24(15)32-2)21-14-31-13-18(11-12-22(31)29-21)33-16-7-9-17(10-8-16)34-25(26,27)28;1-14-22(29-19-5-3-2-4-18(19)23(14)31)20-13-30-12-17(10-11-21(30)28-20)32-15-6-8-16(9-7-15)33-24(25,26)27;1-8-12(11(16)7-14)15-10-6-4-3-5-9(10)13(8)17-2;13-12(14,15)21-9-3-1-8(2-4-9)20-10-5-6-11(16-7-10)17(18)19;13-12(14,15)19-9-3-1-8(2-4-9)18-10-5-6-11(16)17-7-10;8-7(9,10)12-6-3-1-5(11)2-4-6;6-4-1-2-5(7-3-4)8(9)10;;;;;1-2/h3-14H,1-2H3;2-13H,1H3,(H,29,31);3-6H,7H2,1-2H3;1-7H;1-7H,(H2,16,17);1-4,11H;1-3H;4*1H4;
InChIKeyPLHICPDWCRNDIY-UHFFFAOYSA-N
MW2480.47 g/mol
LogP30.92
Rot. Bonds21

About 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine

2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine (PubChem CID 167643074) has the molecular formula C102H86Br2F15I2N13O18 and a molecular weight of 2480.47 g/mol. Its IUPAC name is 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine.

Molecular Properties

Compound Name2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine
PubChem CID167643074
Molecular FormulaC102H86Br2F15I2N13O18
Molecular Weight2480.47 g/mol
Exact Mass2477.24
IUPAC Name2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine
SMILESC.C.C.C.COc1c(C)c(-c2cn3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)nc2ccccc12.Cc1c(-c2cn3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.II.Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H18F3N3O3.C24H16F3N3O3.C13H12BrNO2.C12H7F3N2O4.C12H9F3N2O2.C7H5F3O2.C5H3BrN2O2.4CH4.I2/c1-15-23(30-20-6-4-3-5-19(20)24(15)32-2)21-14-31-13-18(11-12-22(31)29-21)33-16-7-9-17(10-8-16)34-25(26,27)28;1-14-22(29-19-5-3-2-4-18(19)23(14)31)20-13-30-12-17(10-11-21(30)28-20)32-15-6-8-16(9-7-15)33-24(25,26)27;1-8-12(11(16)7-14)15-10-6-4-3-5-9(10)13(8)17-2;13-12(14,15)21-9-3-1-8(2-4-9)20-10-5-6-11(16-7-10)17(18)19;13-12(14,15)19-9-3-1-8(2-4-9)18-10-5-6-11(16)17-7-10;8-7(9,10)12-6-3-1-5(11)2-4-6;6-4-1-2-5(7-3-4)8(9)10;;;;;1-2/h3-14H,1-2H3;2-13H,1H3,(H,29,31);3-6H,7H2,1-2H3;1-7H;1-7H,(H2,16,17);1-4,11H;1-3H;4*1H4;
InChIKeyPLHICPDWCRNDIY-UHFFFAOYSA-N
XLogP30.92
TPSA383.04 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002480.47
LogP ≤ 530.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine with MolForge

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Related Compounds

2-bromo-1-(4-methoxy-3-methylnaphthalen-2-yl)ethanone;5-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular oxygen;5-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine;hydrate
CID 167552750
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromopyridin-2-amine;2-chloro-4-methoxy-3-methylquinoline;fluoroform;(3-hydroxyphenyl)boronic acid;methane;1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-methoxy-3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;2-methylprop-1-ene;3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;triiodo-lambda3-iodane;triiodide;hydroiodide
CID 167575909
potassium;2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;hydride;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid;triiodide
CID 167633954
2-bromo-1-(4-methoxyquinolin-2-yl)ethanone;4-chloro-2-nitropyridine;4-methoxy-3-methyl-2-[7-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-4-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;4-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine
CID 167648588
azane;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;1-ethyl-4-(trifluoromethoxy)benzene;methane;4-methoxy-3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;molecular nitrogen;4-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 167669686
2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-bromopyridin-2-amine;methane;4-methoxy-3-methyl-2-[7-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[7-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;[4-(trifluoromethoxy)phenyl]boronic acid
CID 167672291

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine?
The IUPAC name of 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine (CID 167643074) is 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine.
What is the SMILES notation for 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine?
The canonical SMILES for 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine is C.C.C.C.COc1c(C)c(-c2cn3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3n2)nc2ccccc12.COc1c(C)c(C(=O)CBr)nc2ccccc12.Cc1c(-c2cn3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3n2)[nH]c2ccccc2c1=O.II.Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.O=[N+]([O-])c1ccc(Br)cn1.O=[N+]([O-])c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1.Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine?
The InChIKey is PLHICPDWCRNDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O3.C24H16F3N3O3.C13H12BrNO2.C12H7F3N2O4.C12H9F3N2O2.C7H5F3O2.C5H3BrN2O2.4CH4.I2/c1-15-23(30-20-6-4-3-5-19(20)24(15)32-2)21-14-31-13-18(11-12-22(31)29-21)33-16-7-9-17(10-8-16)34-25(26,27)28;1-14-22(29-19-5-3-2-4-18(19)23(14)31)20-13-30-12-17(10-11-21(30)28-20)32-15-6-8-16(9-7-15)33-24(25,26)27;1-8-12(11(16)7-14)15-10-6-4-3-5-9(10)13(8)17-2;13-12(14,15)21-9-3-1-8(2-4-9)20-10-5-6-11(16-7-10)17(18)19;13-12(14,15)19-9-3-1-8(2-4-9)18-10-5-6-11(16)17-7-10;8-7(9,10)12-6-3-1-5(11)2-4-6;6-4-1-2-5(7-3-4)8(9)10;;;;;1-2/h3-14H,1-2H3;2-13H,1H3,(H,29,31);3-6H,7H2,1-2H3;1-7H;1-7H,(H2,16,17);1-4,11H;1-3H;4*1H4;.
What are the key properties of 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine?
2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine has a molecular weight of 2480.47 g/mol, XLogP of 30.92, 21 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromo-2-nitropyridine;methane;4-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[4-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;molecular iodine;2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine;4-(trifluoromethoxy)phenol;5-[4-(trifluoromethoxy)phenoxy]pyridin-2-amine is sourced from PubChem (CID 167643074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).