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

C132H75Br2Cl8F5N18O12 — CID 159667071

IUPAC4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccn1)c1c(-c2cncc(Br)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2cncc(Cl)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(Br)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(Cl)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/C22H12BrClFN3O2.C22H13BrClN3O2.C22H12Cl2FN3O2.C22H13Cl2N3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c23-14-6-13(9-27-10-14)20-17-7-15(24)2-3-18(17)28-22(30)21(20)19(29)4-1-12-5-16(25)11-26-8-12;23-14-9-13(11-25-12-14)20-17-10-15(24)4-6-18(17)27-22(29)21(20)19(28)7-5-16-3-1-2-8-26-16;23-14-2-3-18-17(7-14)20(13-6-15(24)10-27-9-13)21(22(30)28-18)19(29)4-1-12-5-16(25)11-26-8-12;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;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/h1-11H,(H,28,30);1-12H,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b4-1+;7-5+;4-1+;7-5+;4-1+;7-5+
InChIKeyMTNSZXXUMSCDQX-CZOAFRHSSA-N
MW2643.59 g/mol
LogP30.73
Rot. Bonds24

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

4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 159667071) has the molecular formula C132H75Br2Cl8F5N18O12 and a molecular weight of 2643.59 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
PubChem CID159667071
Molecular FormulaC132H75Br2Cl8F5N18O12
Molecular Weight2643.59 g/mol
Exact Mass2636.16
IUPAC Name4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccn1)c1c(-c2cncc(Br)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2cncc(Cl)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(Br)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(Cl)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/C22H12BrClFN3O2.C22H13BrClN3O2.C22H12Cl2FN3O2.C22H13Cl2N3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c23-14-6-13(9-27-10-14)20-17-7-15(24)2-3-18(17)28-22(30)21(20)19(29)4-1-12-5-16(25)11-26-8-12;23-14-9-13(11-25-12-14)20-17-10-15(24)4-6-18(17)27-22(29)21(20)19(28)7-5-16-3-1-2-8-26-16;23-14-2-3-18-17(7-14)20(13-6-15(24)10-27-9-13)21(22(30)28-18)19(29)4-1-12-5-16(25)11-26-8-12;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;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/h1-11H,(H,28,30);1-12H,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b4-1+;7-5+;4-1+;7-5+;4-1+;7-5+
InChIKeyMTNSZXXUMSCDQX-CZOAFRHSSA-N
XLogP30.73
TPSA454.26 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002643.59
LogP ≤ 530.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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

3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 145149201
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-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;bis(6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methylphenyl)-1H-quinolin-2-one);bis(6-chloro-4-(4-methylphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one)
CID 157617789
3-acetyl-6-chloro-4-phenyl-1H-quinolin-2-one;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-3-[2,3-dibromo-3-(5-fluoro-3-pyridinyl)propanoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;5-fluoropyridine-3-carbaldehyde
CID 157666591
4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-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
CID 158133773
6-chloro-4-(4-chlorophenyl)-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-(4-isocyanophenyl)-1H-quinolin-2-one;tris(6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methylphenyl)-1H-quinolin-2-one)
CID 158327557
tris(6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methylphenyl)-1H-quinolin-2-one);tris(6-chloro-4-(4-methylphenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one)
CID 158404746
3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-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-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one
CID 158453343
3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-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-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]-1H-quinolin-2-one;4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
CID 158614048
4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-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
CID 158892596
4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;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;5-[6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-2-oxo-1H-quinolin-4-yl]pyridine-3-carbonitrile
CID 159472759
3-acetyl-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[2,3-dibromo-3-(4-methyl-2-pyridinyl)propanoyl]-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-[3-(4-methyl-2-pyridinyl)prop-2-ynoyl]-4-phenyl-1H-quinolin-2-one;methane;4-methylpyridine-2-carbaldehyde
CID 160125703

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (CID 159667071) is 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is O=C(/C=C/c1ccccn1)c1c(-c2cncc(Br)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2cncc(Cl)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(Br)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(Cl)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 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is MTNSZXXUMSCDQX-CZOAFRHSSA-N. The full InChI is InChI=1S/C22H12BrClFN3O2.C22H13BrClN3O2.C22H12Cl2FN3O2.C22H13Cl2N3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c23-14-6-13(9-27-10-14)20-17-7-15(24)2-3-18(17)28-22(30)21(20)19(29)4-1-12-5-16(25)11-26-8-12;23-14-9-13(11-25-12-14)20-17-10-15(24)4-6-18(17)27-22(29)21(20)19(28)7-5-16-3-1-2-8-26-16;23-14-2-3-18-17(7-14)20(13-6-15(24)10-27-9-13)21(22(30)28-18)19(29)4-1-12-5-16(25)11-26-8-12;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;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/h1-11H,(H,28,30);1-12H,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b4-1+;7-5+;4-1+;7-5+;4-1+;7-5+.
What are the key properties of 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2643.59 g/mol, XLogP of 30.73, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-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-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 159667071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).