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

C144H95Cl7F3N13O14 — CID 157259245

IUPAC6-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
SMILESCOCc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.COc1ccnc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.Cc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cc(Cl)ccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(C(F)(F)F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.[C-]#[N+]c1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C25H19ClN2O3.C24H14ClF3N2O2.C24H14ClN3O2.C24H17ClN2O3.C24H17ClN2O2.C23H14Cl2N2O2/c1-31-15-17-11-16(13-27-14-17)7-10-22(29)24-23(18-5-3-2-4-6-18)20-12-19(26)8-9-21(20)28-25(24)30;25-17-7-8-19-18(11-17)21(15-4-2-1-3-5-15)22(23(32)30-19)20(31)9-6-14-10-16(13-29-12-14)24(26,27)28;1-26-18-11-15(13-27-14-18)7-10-21(29)23-22(16-5-3-2-4-6-16)19-12-17(25)8-9-20(19)28-24(23)30;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;1-15-11-16(14-26-13-15)7-10-21(28)23-22(17-5-3-2-4-6-17)19-12-18(25)8-9-20(19)27-24(23)29;24-15-6-8-19-18(13-15)21(14-4-2-1-3-5-14)22(23(29)27-19)20(28)9-7-17-12-16(25)10-11-26-17/h2-14H,15H2,1H3,(H,28,30);1-13H,(H,30,32);2-14H,(H,28,30);2-14H,1H3,(H,27,29);2-14H,1H3,(H,27,29);1-13H,(H,27,29)/b10-7+;9-6+;10-7+;10-8+;10-7+;9-7+
InChIKeyAXGNLRHAWGKSNH-UJHYZMRMSA-N
MW2536.59 g/mol
LogP33.52
Rot. Bonds27

About 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

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 (PubChem CID 157259245) has the molecular formula C144H95Cl7F3N13O14 and a molecular weight of 2536.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157259245
Molecular FormulaC144H95Cl7F3N13O14
Molecular Weight2536.59 g/mol
Exact Mass2531.49
IUPAC Name6-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
SMILESCOCc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.COc1ccnc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.Cc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cc(Cl)ccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(C(F)(F)F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.[C-]#[N+]c1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1
InChIInChI=1S/C25H19ClN2O3.C24H14ClF3N2O2.C24H14ClN3O2.C24H17ClN2O3.C24H17ClN2O2.C23H14Cl2N2O2/c1-31-15-17-11-16(13-27-14-17)7-10-22(29)24-23(18-5-3-2-4-6-18)20-12-19(26)8-9-21(20)28-25(24)30;25-17-7-8-19-18(11-17)21(15-4-2-1-3-5-15)22(23(32)30-19)20(31)9-6-14-10-16(13-29-12-14)24(26,27)28;1-26-18-11-15(13-27-14-18)7-10-21(29)23-22(16-5-3-2-4-6-16)19-12-17(25)8-9-20(19)28-24(23)30;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;1-15-11-16(14-26-13-15)7-10-21(28)23-22(17-5-3-2-4-6-17)19-12-18(25)8-9-20(19)27-24(23)29;24-15-6-8-19-18(13-15)21(14-4-2-1-3-5-14)22(23(29)27-19)20(28)9-7-17-12-16(25)10-11-26-17/h2-14H,15H2,1H3,(H,28,30);1-13H,(H,30,32);2-14H,(H,28,30);2-14H,1H3,(H,27,29);2-14H,1H3,(H,27,29);1-13H,(H,27,29)/b10-7+;9-6+;10-7+;10-8+;10-7+;9-7+
InChIKeyAXGNLRHAWGKSNH-UJHYZMRMSA-N
XLogP33.52
TPSA399.74 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002536.59
LogP ≤ 533.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-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
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
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
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-(5-fluoro-3-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-methoxy-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 157836340
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
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-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-2-ylprop-2-enoyl]-1H-quinolin-2-one
CID 158797031
3-chloro-4-fluoro-N-(6-pyridin-2-yl-3-pyridinyl)benzamide;3-chloro-N-(6-pyridin-2-yl-3-pyridinyl)benzamide;4-chloro-N-(6-pyridin-2-yl-3-pyridinyl)benzamide;4-fluoro-N-(6-pyridin-2-yl-3-pyridinyl)benzamide;4-methoxy-N-(6-pyridin-2-yl-3-pyridinyl)benzamide;N-(6-pyridin-2-yl-3-pyridinyl)pyridine-2-carboxamide;N-(6-pyridin-2-yl-3-pyridinyl)pyridine-3-carboxamide;N-(6-pyridin-2-yl-3-pyridinyl)pyridine-4-carboxamide
CID 158986564
3-[(E)-3-(5-bromo-3-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-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-3-[(E)-3-(5-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 160170642

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.COc1ccnc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.Cc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cc(Cl)ccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(C(F)(F)F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.[C-]#[N+]c1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.
What is the InChIKey of 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?
The InChIKey is AXGNLRHAWGKSNH-UJHYZMRMSA-N. The full InChI is InChI=1S/C25H19ClN2O3.C24H14ClF3N2O2.C24H14ClN3O2.C24H17ClN2O3.C24H17ClN2O2.C23H14Cl2N2O2/c1-31-15-17-11-16(13-27-14-17)7-10-22(29)24-23(18-5-3-2-4-6-18)20-12-19(26)8-9-21(20)28-25(24)30;25-17-7-8-19-18(11-17)21(15-4-2-1-3-5-15)22(23(32)30-19)20(31)9-6-14-10-16(13-29-12-14)24(26,27)28;1-26-18-11-15(13-27-14-18)7-10-21(29)23-22(16-5-3-2-4-6-16)19-12-17(25)8-9-20(19)28-24(23)30;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;1-15-11-16(14-26-13-15)7-10-21(28)23-22(17-5-3-2-4-6-17)19-12-18(25)8-9-20(19)27-24(23)29;24-15-6-8-19-18(13-15)21(14-4-2-1-3-5-14)22(23(29)27-19)20(28)9-7-17-12-16(25)10-11-26-17/h2-14H,15H2,1H3,(H,28,30);1-13H,(H,30,32);2-14H,(H,28,30);2-14H,1H3,(H,27,29);2-14H,1H3,(H,27,29);1-13H,(H,27,29)/b10-7+;9-6+;10-7+;10-8+;10-7+;9-7+.
What are the key properties of 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?
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 has a molecular weight of 2536.59 g/mol, XLogP of 33.52, 27 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157259245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).