6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one

C136H87Cl6F5N18O14 — CID 158651406

IUPAC6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESCOc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.COc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3cccnc3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C23H15ClFN3O3.C23H15ClFN3O2.C23H16ClN3O3.C23H16ClN3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c1-31-17-7-14(10-27-12-17)21-18-8-15(24)3-4-19(18)28-23(30)22(21)20(29)5-2-13-6-16(25)11-26-9-13;1-13-6-15(11-26-9-13)21-18-8-16(24)3-4-19(18)28-23(30)22(21)20(29)5-2-14-7-17(25)12-27-10-14;1-30-17-10-14(12-25-13-17)21-18-11-15(24)5-7-19(18)27-23(29)22(21)20(28)8-6-16-4-2-3-9-26-16;1-14-9-16(13-26-11-14)21-18-10-17(24)5-6-19(18)27-23(29)22(21)20(28)7-4-15-3-2-8-25-12-15;23-14-2-3-18-17(7-14)20(13-6-16(25)11-27-9-13)21(22(30)28-18)19(29)4-1-12-5-15(24)10-26-8-12;23-14-4-6-18-17(10-14)20(13-9-15(24)12-25-11-13)21(22(29)27-18)19(28)7-5-16-3-1-2-8-26-16/h2-12H,1H3,(H,28,30);2-12H,1H3,(H,28,30);2-13H,1H3,(H,27,29);2-13H,1H3,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b2*5-2+;8-6+;7-4+;4-1+;7-5+
InChIKeyIBPHNGNLOWZUJE-XJVUCFOUSA-N
MW2505.01 g/mol
LogP28.54
Rot. Bonds26

About 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one

6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 158651406) has the molecular formula C136H87Cl6F5N18O14 and a molecular weight of 2505.01 g/mol. Its IUPAC name is 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one
PubChem CID158651406
Molecular FormulaC136H87Cl6F5N18O14
Molecular Weight2505.01 g/mol
Exact Mass2500.47
IUPAC Name6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESCOc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.COc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3cccnc3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C23H15ClFN3O3.C23H15ClFN3O2.C23H16ClN3O3.C23H16ClN3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c1-31-17-7-14(10-27-12-17)21-18-8-15(24)3-4-19(18)28-23(30)22(21)20(29)5-2-13-6-16(25)11-26-9-13;1-13-6-15(11-26-9-13)21-18-8-16(24)3-4-19(18)28-23(30)22(21)20(29)5-2-14-7-17(25)12-27-10-14;1-30-17-10-14(12-25-13-17)21-18-11-15(24)5-7-19(18)27-23(29)22(21)20(28)8-6-16-4-2-3-9-26-16;1-14-9-16(13-26-11-14)21-18-10-17(24)5-6-19(18)27-23(29)22(21)20(28)7-4-15-3-2-8-25-12-15;23-14-2-3-18-17(7-14)20(13-6-16(25)11-27-9-13)21(22(30)28-18)19(29)4-1-12-5-15(24)10-26-8-12;23-14-4-6-18-17(10-14)20(13-9-15(24)12-25-11-13)21(22(29)27-18)19(28)7-5-16-3-1-2-8-26-16/h2-12H,1H3,(H,28,30);2-12H,1H3,(H,28,30);2-13H,1H3,(H,27,29);2-13H,1H3,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b2*5-2+;8-6+;7-4+;4-1+;7-5+
InChIKeyIBPHNGNLOWZUJE-XJVUCFOUSA-N
XLogP28.54
TPSA472.72 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002505.01
LogP ≤ 528.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;bis(N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide)
CID 123343601
6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one
CID 134253205
N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;bis(N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157055431
5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157101750
6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one
CID 157219017
6-chloro-3-[(E)-3-(4-chloro-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-isocyano-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one
CID 157259245
N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157568675
N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157829701
N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;bis(N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide)
CID 158670094
bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158716188
6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 158886903
bis(N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;bis(N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide)
CID 158981963

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one (CID 158651406) is 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one is COc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.COc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3cccnc3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is IBPHNGNLOWZUJE-XJVUCFOUSA-N. The full InChI is InChI=1S/C23H15ClFN3O3.C23H15ClFN3O2.C23H16ClN3O3.C23H16ClN3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c1-31-17-7-14(10-27-12-17)21-18-8-15(24)3-4-19(18)28-23(30)22(21)20(29)5-2-13-6-16(25)11-26-9-13;1-13-6-15(11-26-9-13)21-18-8-16(24)3-4-19(18)28-23(30)22(21)20(29)5-2-14-7-17(25)12-27-10-14;1-30-17-10-14(12-25-13-17)21-18-11-15(24)5-7-19(18)27-23(29)22(21)20(28)8-6-16-4-2-3-9-26-16;1-14-9-16(13-26-11-14)21-18-10-17(24)5-6-19(18)27-23(29)22(21)20(28)7-4-15-3-2-8-25-12-15;23-14-2-3-18-17(7-14)20(13-6-16(25)11-27-9-13)21(22(30)28-18)19(29)4-1-12-5-15(24)10-26-8-12;23-14-4-6-18-17(10-14)20(13-9-15(24)12-25-11-13)21(22(29)27-18)19(28)7-5-16-3-1-2-8-26-16/h2-12H,1H3,(H,28,30);2-12H,1H3,(H,28,30);2-13H,1H3,(H,27,29);2-13H,1H3,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b2*5-2+;8-6+;7-4+;4-1+;7-5+.
What are the key properties of 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one?
6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2505.01 g/mol, XLogP of 28.54, 26 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methyl-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 158651406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).