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

C142H91Cl6F7N12O15 — CID 159326419

IUPAC6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.COc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.COc1ccnc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cc(C(F)(F)F)ccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cccnc1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C24H14ClF3N2O2.C24H16ClFN2O3.2C24H17ClN2O3.C23H13ClF2N2O2.C23H14ClFN2O2/c25-16-6-8-19-18(13-16)21(14-4-2-1-3-5-14)22(23(32)30-19)20(31)9-7-17-12-15(10-11-29-17)24(26,27)28;1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14;1-30-18-9-5-15(6-10-18)22-19-14-16(25)7-11-20(19)27-24(29)23(22)21(28)12-8-17-4-2-3-13-26-17;1-30-18-11-12-26-17(14-18)8-10-21(28)23-22(15-5-3-2-4-6-15)19-13-16(25)7-9-20(19)27-24(23)29;24-15-4-7-19-18(10-15)21(14-2-5-16(25)6-3-14)22(23(30)28-19)20(29)8-1-13-9-17(26)12-27-11-13;24-16-6-9-19-18(12-16)21(15-4-7-17(25)8-5-15)22(23(29)27-19)20(28)10-3-14-2-1-11-26-13-14/h1-13H,(H,30,32);2-13H,1H3,(H,28,30);2*2-14H,1H3,(H,27,29);1-12H,(H,28,30);1-13H,(H,27,29)/b9-7+;9-2+;12-8+;10-8+;8-1+;10-3+
InChIKeyLEKPJJCJALPKBM-HNZGYIEKSA-N
MW2551.06 g/mol
LogP32.44
Rot. Bonds27

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

6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one (PubChem CID 159326419) has the molecular formula C142H91Cl6F7N12O15 and a molecular weight of 2551.06 g/mol. Its IUPAC name is 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one
PubChem CID159326419
Molecular FormulaC142H91Cl6F7N12O15
Molecular Weight2551.06 g/mol
Exact Mass2546.47
IUPAC Name6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.COc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.COc1ccnc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cc(C(F)(F)F)ccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cccnc1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C24H14ClF3N2O2.C24H16ClFN2O3.2C24H17ClN2O3.C23H13ClF2N2O2.C23H14ClFN2O2/c25-16-6-8-19-18(13-16)21(14-4-2-1-3-5-14)22(23(32)30-19)20(31)9-7-17-12-15(10-11-29-17)24(26,27)28;1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14;1-30-18-9-5-15(6-10-18)22-19-14-16(25)7-11-20(19)27-24(29)23(22)21(28)12-8-17-4-2-3-13-26-17;1-30-18-11-12-26-17(14-18)8-10-21(28)23-22(15-5-3-2-4-6-15)19-13-16(25)7-9-20(19)27-24(23)29;24-15-4-7-19-18(10-15)21(14-2-5-16(25)6-3-14)22(23(30)28-19)20(29)8-1-13-9-17(26)12-27-11-13;24-16-6-9-19-18(12-16)21(15-4-7-17(25)8-5-15)22(23(29)27-19)20(28)10-3-14-2-1-11-26-13-14/h1-13H,(H,30,32);2-13H,1H3,(H,28,30);2*2-14H,1H3,(H,27,29);1-12H,(H,28,30);1-13H,(H,27,29)/b9-7+;9-2+;12-8+;10-8+;8-1+;10-3+
InChIKeyLEKPJJCJALPKBM-HNZGYIEKSA-N
XLogP32.44
TPSA404.61 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002551.06
LogP ≤ 532.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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

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Related Compounds

6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one
CID 134247895
6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 134253204
6-chloro-3-[(E)-3-(5-fluoropyridin-3-yl)prop-2-enoyl]-4-[4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one
CID 134257237
3-acetyl-6-chloro-4-[3-(5-fluoro-3-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenyl]-1H-quinolin-2-one
CID 134257445
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
3-[(E)-3-(5-bromo-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[3-(5-fluoro-3-pyridinyl)propanoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methoxy-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrazin-2-ylprop-2-enoyl]-1H-quinolin-2-one
CID 160465819
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-(5-methoxy-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 161766473
6-chloro-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
CID 134247925
6-chloro-4-(4-chlorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-chlorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-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-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
CID 157856909
3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
CID 158092925
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one (CID 159326419) is 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one is COc1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.COc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.COc1ccnc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cc(C(F)(F)F)ccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cccnc1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is LEKPJJCJALPKBM-HNZGYIEKSA-N. The full InChI is InChI=1S/C24H14ClF3N2O2.C24H16ClFN2O3.2C24H17ClN2O3.C23H13ClF2N2O2.C23H14ClFN2O2/c25-16-6-8-19-18(13-16)21(14-4-2-1-3-5-14)22(23(32)30-19)20(31)9-7-17-12-15(10-11-29-17)24(26,27)28;1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14;1-30-18-9-5-15(6-10-18)22-19-14-16(25)7-11-20(19)27-24(29)23(22)21(28)12-8-17-4-2-3-13-26-17;1-30-18-11-12-26-17(14-18)8-10-21(28)23-22(15-5-3-2-4-6-15)19-13-16(25)7-9-20(19)27-24(23)29;24-15-4-7-19-18(10-15)21(14-2-5-16(25)6-3-14)22(23(30)28-19)20(29)8-1-13-9-17(26)12-27-11-13;24-16-6-9-19-18(12-16)21(15-4-7-17(25)8-5-15)22(23(29)27-19)20(28)10-3-14-2-1-11-26-13-14/h1-13H,(H,30,32);2-13H,1H3,(H,28,30);2*2-14H,1H3,(H,27,29);1-12H,(H,28,30);1-13H,(H,27,29)/b9-7+;9-2+;12-8+;10-8+;8-1+;10-3+.
What are the key properties of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?
6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2551.06 g/mol, XLogP of 32.44, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-fluorophenyl)-3-[(E)-3-pyridin-3-ylprop-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-4-(4-methoxyphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(4-methoxy-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 159326419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).