6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)

C107H77Cl7N10O20S10 — CID 158814377

IUPAC6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.O=C(Cc1ccc(-n2ccc3cc(Cl)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3ccc(Cl)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3ccccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/2C22H17ClN2O4S2.2C21H14Cl2N2O4S2.C21H15ClN2O4S2/c2*1-14-2-4-18-16(10-14)8-9-25(22(18)27)20-6-3-15(12-24-20)11-17(26)13-31(28,29)21-7-5-19(23)30-21;22-15-2-3-17-14(10-15)7-8-25(21(17)27)19-5-1-13(11-24-19)9-16(26)12-31(28,29)20-6-4-18(23)30-20;22-15-3-2-14-7-8-25(21(27)17(14)10-15)19-5-1-13(11-24-19)9-16(26)12-31(28,29)20-6-4-18(23)30-20;22-18-6-8-20(29-18)30(27,28)13-16(25)11-14-5-7-19(23-12-14)24-10-9-15-3-1-2-4-17(15)21(24)26/h2*2-10,12H,11,13H2,1H3;2*1-8,10-11H,9,12H2;1-10,12H,11,13H2
InChIKeyIVBVZTVEVGJIGJ-UHFFFAOYSA-N
MW2391.68 g/mol
LogP20.35
Rot. Bonds30

About 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)

6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one) (PubChem CID 158814377) has the molecular formula C107H77Cl7N10O20S10 and a molecular weight of 2391.68 g/mol. Its IUPAC name is 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one).

Molecular Properties

Compound Name6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)
PubChem CID158814377
Molecular FormulaC107H77Cl7N10O20S10
Molecular Weight2391.68 g/mol
Exact Mass2386.03
IUPAC Name6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)
SMILESCc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.O=C(Cc1ccc(-n2ccc3cc(Cl)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3ccc(Cl)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3ccccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/2C22H17ClN2O4S2.2C21H14Cl2N2O4S2.C21H15ClN2O4S2/c2*1-14-2-4-18-16(10-14)8-9-25(22(18)27)20-6-3-15(12-24-20)11-17(26)13-31(28,29)21-7-5-19(23)30-21;22-15-2-3-17-14(10-15)7-8-25(21(17)27)19-5-1-13(11-24-19)9-16(26)12-31(28,29)20-6-4-18(23)30-20;22-15-3-2-14-7-8-25(21(27)17(14)10-15)19-5-1-13(11-24-19)9-16(26)12-31(28,29)20-6-4-18(23)30-20;22-18-6-8-20(29-18)30(27,28)13-16(25)11-14-5-7-19(23-12-14)24-10-9-15-3-1-2-4-17(15)21(24)26/h2*2-10,12H,11,13H2,1H3;2*1-8,10-11H,9,12H2;1-10,12H,11,13H2
InChIKeyIVBVZTVEVGJIGJ-UHFFFAOYSA-N
XLogP20.35
TPSA430.50 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.68
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one) with MolForge

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Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(cyclopropylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(dimethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(ethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(N'-methylcarbamimidoyl)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(7-methylsulfanyl-1-oxoisoquinolin-2-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]-3-pyridinyl]urea
CID 158866739
3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;1-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one
CID 158961422
1-[5-[(4-Acetylpiperazin-1-yl)methyl]-4-chlorothiophen-2-yl]-3-(1-aminoisoquinolin-6-yl)propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-(morpholin-4-ylmethyl)thiophen-2-yl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-propan-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one
CID 167607476
4-tert-butyl-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-4-ethylbenzamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-fluorobenzamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-4-methylbenzamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]naphthalene-2-carboxamide
CID 173254223
6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione
CID 157290243
6-Chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline
CID 157463574
2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-(1-methyl-4,5-dihydroimidazol-2-yl)-4H-isoquinoline-1,3-dione;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-(2-morpholin-4-ylethylamino)-4H-isoquinoline-1,3-dione;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-(2-pyrrolidin-1-ylethylamino)-4H-isoquinoline-1,3-dione;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1,2,3,8-tetrahydropyrrolo[2,3-g]isoquinoline-5,7-dione
CID 157491126
6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4H-isoquinoline-1,3-dione;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1,3-dioxo-7-(sulfinatoamino)-4H-isoquinoline;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-fluoro-4H-isoquinoline-1,3-dione;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4H-isoquinoline-1,3-dione)
CID 157732074
Bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one);tetrakis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylisoquinolin-1-one);sulfur dioxide
CID 157846694
6-Chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methylquinazolin-4-one;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,6-dimethylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,7-dimethylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoro-2-methylquinazolin-4-one
CID 157999563
Tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,6-dimethylquinazolin-4-one);bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,7-dimethylquinazolin-4-one);sulfur dioxide
CID 158064940
Tetrakis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylquinazolin-4-one);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-pyrrolidin-1-ylquinazolin-4-one;sulfur dioxide
CID 158236237

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)?
The IUPAC name of 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one) (CID 158814377) is 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one).
What is the SMILES notation for 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)?
The canonical SMILES for 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one) is Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)ccc2c1.O=C(Cc1ccc(-n2ccc3cc(Cl)ccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3ccc(Cl)cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3ccccc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)?
The InChIKey is IVBVZTVEVGJIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17ClN2O4S2.2C21H14Cl2N2O4S2.C21H15ClN2O4S2/c2*1-14-2-4-18-16(10-14)8-9-25(22(18)27)20-6-3-15(12-24-20)11-17(26)13-31(28,29)21-7-5-19(23)30-21;22-15-2-3-17-14(10-15)7-8-25(21(17)27)19-5-1-13(11-24-19)9-16(26)12-31(28,29)20-6-4-18(23)30-20;22-15-3-2-14-7-8-25(21(27)17(14)10-15)19-5-1-13(11-24-19)9-16(26)12-31(28,29)20-6-4-18(23)30-20;22-18-6-8-20(29-18)30(27,28)13-16(25)11-14-5-7-19(23-12-14)24-10-9-15-3-1-2-4-17(15)21(24)26/h2*2-10,12H,11,13H2,1H3;2*1-8,10-11H,9,12H2;1-10,12H,11,13H2.
What are the key properties of 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one)?
6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one) has a molecular weight of 2391.68 g/mol, XLogP of 20.35, 30 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;7-chloro-2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]isoquinolin-1-one;bis(2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methylisoquinolin-1-one) is sourced from PubChem (CID 158814377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).