3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate

C144H95BrCl6F3N19O14 — CID 159438890

IUPAC3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.CN(C)c1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.CN(C)c1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.N#Cc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.N#Cc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C(Br)=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C25H19ClFN3O2.C25H18ClN3O4.C25H20ClN3O2.C23H13BrClFN2O2.C23H12ClFN4O2.C23H13ClN4O2/c1-30(2)19-7-4-16(5-8-19)23-20-12-17(26)6-9-21(20)29-25(32)24(23)22(31)10-3-15-11-18(27)14-28-13-15;1-2-33-25(32)16-11-15(13-27-14-16)22-19-12-17(26)6-8-20(19)29-24(31)23(22)21(30)9-7-18-5-3-4-10-28-18;1-29(2)19-10-6-16(7-11-19)23-20-15-17(26)8-12-21(20)28-25(31)24(23)22(30)13-9-18-5-3-4-14-27-18;24-18(9-13-8-16(26)12-27-11-13)22(29)21-20(14-4-2-1-3-5-14)17-10-15(25)6-7-19(17)28-23(21)30;24-16-2-3-19-18(7-16)21(15-5-14(8-26)10-27-11-15)22(23(31)29-19)20(30)4-1-13-6-17(25)12-28-9-13;24-16-4-6-19-18(10-16)21(15-9-14(11-25)12-26-13-15)22(23(30)28-19)20(29)7-5-17-3-1-2-8-27-17/h3-14H,1-2H3,(H,29,32);3-14H,2H2,1H3,(H,29,31);3-15H,1-2H3,(H,28,31);1-12H,(H,28,30);1-7,9-12H,(H,29,31);1-10,12-13H,(H,28,30)/b10-3+;9-7+;13-9+;18-9-;4-1+;7-5+
InChIKeyLRXQOPFDORSFEU-XSUCWRPISA-N
MW2665.08 g/mol
LogP30.21
Rot. Bonds28

About 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate

3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate (PubChem CID 159438890) has the molecular formula C144H95BrCl6F3N19O14 and a molecular weight of 2665.08 g/mol. Its IUPAC name is 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate
PubChem CID159438890
Molecular FormulaC144H95BrCl6F3N19O14
Molecular Weight2665.08 g/mol
Exact Mass2659.46
IUPAC Name3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.CN(C)c1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.CN(C)c1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.N#Cc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.N#Cc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C(Br)=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C25H19ClFN3O2.C25H18ClN3O4.C25H20ClN3O2.C23H13BrClFN2O2.C23H12ClFN4O2.C23H13ClN4O2/c1-30(2)19-7-4-16(5-8-19)23-20-12-17(26)6-9-21(20)29-25(32)24(23)22(31)10-3-15-11-18(27)14-28-13-15;1-2-33-25(32)16-11-15(13-27-14-16)22-19-12-17(26)6-8-20(19)29-24(31)23(22)21(30)9-7-18-5-3-4-10-28-18;1-29(2)19-10-6-16(7-11-19)23-20-15-17(26)8-12-21(20)28-25(31)24(23)22(30)13-9-18-5-3-4-14-27-18;24-18(9-13-8-16(26)12-27-11-13)22(29)21-20(14-4-2-1-3-5-14)17-10-15(25)6-7-19(17)28-23(21)30;24-16-2-3-19-18(7-16)21(15-5-14(8-26)10-27-11-15)22(23(31)29-19)20(30)4-1-13-6-17(25)12-28-9-13;24-16-4-6-19-18(10-16)21(15-9-14(11-25)12-26-13-15)22(23(30)28-19)20(29)7-5-17-3-1-2-8-27-17/h3-14H,1-2H3,(H,29,32);3-14H,2H2,1H3,(H,29,31);3-15H,1-2H3,(H,28,31);1-12H,(H,28,30);1-7,9-12H,(H,29,31);1-10,12-13H,(H,28,30)/b10-3+;9-7+;13-9+;18-9-;4-1+;7-5+
InChIKeyLRXQOPFDORSFEU-XSUCWRPISA-N
XLogP30.21
TPSA495.95 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002665.08
LogP ≤ 530.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate
CID 145149209
3-[(E)-3-(5-bromo-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;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-methyl-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
CID 157108097
6-chloro-3-[(E)-3-(5-chloro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate
CID 158489329
3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;3-[(E)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate
CID 159880895
6-chloro-3-[(E)-3-(5-chloro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate
CID 160450700

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate?
The IUPAC name of 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate (CID 159438890) is 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.CN(C)c1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.CN(C)c1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.N#Cc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.N#Cc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C(Br)=C/c1cncc(F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate?
The InChIKey is LRXQOPFDORSFEU-XSUCWRPISA-N. The full InChI is InChI=1S/C25H19ClFN3O2.C25H18ClN3O4.C25H20ClN3O2.C23H13BrClFN2O2.C23H12ClFN4O2.C23H13ClN4O2/c1-30(2)19-7-4-16(5-8-19)23-20-12-17(26)6-9-21(20)29-25(32)24(23)22(31)10-3-15-11-18(27)14-28-13-15;1-2-33-25(32)16-11-15(13-27-14-16)22-19-12-17(26)6-8-20(19)29-24(31)23(22)21(30)9-7-18-5-3-4-10-28-18;1-29(2)19-10-6-16(7-11-19)23-20-15-17(26)8-12-21(20)28-25(31)24(23)22(30)13-9-18-5-3-4-14-27-18;24-18(9-13-8-16(26)12-27-11-13)22(29)21-20(14-4-2-1-3-5-14)17-10-15(25)6-7-19(17)28-23(21)30;24-16-2-3-19-18(7-16)21(15-5-14(8-26)10-27-11-15)22(23(31)29-19)20(30)4-1-13-6-17(25)12-28-9-13;24-16-4-6-19-18(10-16)21(15-9-14(11-25)12-26-13-15)22(23(30)28-19)20(29)7-5-17-3-1-2-8-27-17/h3-14H,1-2H3,(H,29,32);3-14H,2H2,1H3,(H,29,31);3-15H,1-2H3,(H,28,31);1-12H,(H,28,30);1-7,9-12H,(H,29,31);1-10,12-13H,(H,28,30)/b10-3+;9-7+;13-9+;18-9-;4-1+;7-5+.
What are the key properties of 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate?
3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate has a molecular weight of 2665.08 g/mol, XLogP of 30.21, 28 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-bromo-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-[4-(dimethylamino)phenyl]-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile;5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carbonitrile;ethyl 5-[6-chloro-2-oxo-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 159438890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).