8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one

C106H100Cl4FN11O11S — CID 160606827

IUPAC8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one
SMILESCC(C)C(N)C(=O)CCC(O)CCC(=O)c1ccc(C#Cc2c(N)ncc3ccc(Cl)cc23)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCC2=NCCC2)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCS(=O)(=O)F)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCc2ccccn2)cc1
InChIInChI=1S/C28H30ClN3O3.C28H24ClN3O2.C27H26ClN3O2.C23H20ClFN2O4S/c1-17(2)27(30)26(35)14-11-22(33)10-13-25(34)19-6-3-18(4-7-19)5-12-23-24-15-21(29)9-8-20(24)16-32-28(23)31;29-22-10-9-21-18-32-28(30)25(26(21)17-22)14-6-19-4-7-20(8-5-19)27(34)15-13-24(33)12-11-23-3-1-2-16-31-23;28-21-9-8-20-17-31-27(29)24(25(20)16-21)13-5-18-3-6-19(7-4-18)26(33)14-12-23(32)11-10-22-2-1-15-30-22;24-18-7-6-17-14-27-23(26)20(21(17)13-18)9-3-15-1-4-16(5-2-15)22(29)10-8-19(28)11-12-32(25,30)31/h3-4,6-9,15-17,22,27,33H,10-11,13-14,30H2,1-2H3,(H2,31,32);1-5,7-10,16-18,24,33H,11-13,15H2,(H2,30,32);3-4,6-9,16-17,23,32H,1-2,10-12,14-15H2,(H2,29,31);1-2,4-7,13-14,19,28H,8,10-12H2,(H2,26,27)
InChIKeyREZCFKQPSKUXEV-UHFFFAOYSA-N
MW1896.91 g/mol
LogP18.84
Rot. Bonds30

About 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one

8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one (PubChem CID 160606827) has the molecular formula C106H100Cl4FN11O11S and a molecular weight of 1896.91 g/mol. Its IUPAC name is 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one.

Molecular Properties

Compound Name8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one
PubChem CID160606827
Molecular FormulaC106H100Cl4FN11O11S
Molecular Weight1896.91 g/mol
Exact Mass1893.61
IUPAC Name8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one
SMILESCC(C)C(N)C(=O)CCC(O)CCC(=O)c1ccc(C#Cc2c(N)ncc3ccc(Cl)cc23)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCC2=NCCC2)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCS(=O)(=O)F)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCc2ccccn2)cc1
InChIInChI=1S/C28H30ClN3O3.C28H24ClN3O2.C27H26ClN3O2.C23H20ClFN2O4S/c1-17(2)27(30)26(35)14-11-22(33)10-13-25(34)19-6-3-18(4-7-19)5-12-23-24-15-21(29)9-8-20(24)16-32-28(23)31;29-22-10-9-21-18-32-28(30)25(26(21)17-22)14-6-19-4-7-20(8-5-19)27(34)15-13-24(33)12-11-23-3-1-2-16-31-23;28-21-9-8-20-17-31-27(29)24(25(20)16-21)13-5-18-3-6-19(7-4-18)26(33)14-12-23(32)11-10-22-2-1-15-30-22;24-18-7-6-17-14-27-23(26)20(21(17)13-18)9-3-15-1-4-16(5-2-15)22(29)10-8-19(28)11-12-32(25,30)31/h3-4,6-9,15-17,22,27,33H,10-11,13-14,30H2,1-2H3,(H2,31,32);1-5,7-10,16-18,24,33H,11-13,15H2,(H2,30,32);3-4,6-9,16-17,23,32H,1-2,10-12,14-15H2,(H2,29,31);1-2,4-7,13-14,19,28H,8,10-12H2,(H2,26,27)
InChIKeyREZCFKQPSKUXEV-UHFFFAOYSA-N
XLogP18.84
TPSA407.32 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001896.91
LogP ≤ 518.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

5-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxypentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-5-(ethylamino)-4-hydroxypentan-1-one;7-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-N,N-dimethyl-7-oxoheptanamide;7-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-7-oxoheptanamide
CID 157819021
5-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]pentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-5-(dimethylamino)pentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-5-piperidin-1-ylpentan-1-one;6-chloro-4-[2-[4-(5-cyclopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]isoquinolin-3-amine
CID 158366300
1-[4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]-2-chlorophenyl]-5-(diethylamino)-4-hydroxypentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-2-chlorophenyl]-2-[4-(4-ethylpiperazin-1-yl)phenyl]ethanone;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-2-chlorophenyl]-2-[4-methyl-3-(pyridin-2-ylmethyl)phenyl]ethanone;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-2-fluorophenyl]-5-(diethylamino)-4-hydroxypentan-1-one
CID 158434720
1-[4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-methylsulfonylhexan-1-one;7-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-7-oxoheptanimidamide;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyrimidin-2-ylhexan-1-one
CID 158502011
1-[4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]hexan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-5-piperidin-1-ylpentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-5-pyrrolidin-1-ylpentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-5-piperidin-1-ylpentan-1-one
CID 159005286
1-[4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-(dimethylamino)butan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]hexan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-5-piperidin-1-ylpentan-1-one;1-[4-(2-isoquinolin-4-ylethynyl)phenyl]-5-piperidin-1-ylpentan-1-one
CID 160245133
1-[4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-7-cyclopropyl-4-hydroxyheptane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-methylsulfonylhexan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxyoctane-1,7-dione;7-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-7-oxoheptanimidamide;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyrimidin-2-ylhexan-1-one;tert-butyl 7-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-7-oxoheptanoate;methyl 7-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-7-oxoheptanoate
CID 161333187
1-[4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]hexan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-5-piperidin-1-ylpentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-5-piperidin-1-ylpentan-1-one;1-[4-(2-isoquinolin-4-ylethynyl)phenyl]-5-piperidin-1-ylpentan-1-one
CID 161901798
8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one;1-[4-[2-[3-amino-6-(1H-pyrazol-4-yl)isoquinolin-4-yl]ethynyl]phenyl]-5-(diethylamino)-4-hydroxypentan-1-one;1-[4-[2-[3-amino-6-(1H-pyrazol-5-yl)isoquinolin-4-yl]ethynyl]phenyl]-5-(diethylamino)-4-hydroxypentan-1-one;1-[4-[2-[3-amino-6-[1-(pyrrolidin-2-ylmethyl)triazol-4-yl]isoquinolin-4-yl]ethynyl]phenyl]-5-(diethylamino)-4-hydroxypentan-1-one;1-[4-[2-[3-amino-6-(2H-pyrrol-3-yl)isoquinolin-4-yl]ethynyl]phenyl]-5-(diethylamino)-4-hydroxypentan-1-one
CID 161955668
1-[4-[2-(3-Amino-6-chloroisoquinolin-4-yl)ethynyl]-2-chlorophenyl]-5-(diethylamino)-4-hydroxypentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-2-chlorophenyl]-2-[4-(4-ethylpiperazin-1-yl)phenyl]ethanone;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-2-chlorophenyl]-2-[4-methyl-3-(pyridin-2-ylmethyl)phenyl]ethanone;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-2-fluorophenyl]-5-(diethylamino)-4-hydroxypentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-2-methylphenyl]-5-(dimethylamino)-4-hydroxypentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-3-methylphenyl]-5-(dimethylamino)-4-hydroxypentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-5-(diethylamino)-4-hydroxypentan-1-one;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-5-pyrrolidin-1-ylpentan-1-one
CID 162042971

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one?
The IUPAC name of 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one (CID 160606827) is 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one.
What is the SMILES notation for 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one?
The canonical SMILES for 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one is CC(C)C(N)C(=O)CCC(O)CCC(=O)c1ccc(C#Cc2c(N)ncc3ccc(Cl)cc23)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCC2=NCCC2)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCS(=O)(=O)F)cc1.Nc1ncc2ccc(Cl)cc2c1C#Cc1ccc(C(=O)CCC(O)CCc2ccccn2)cc1.
What is the InChIKey of 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one?
The InChIKey is REZCFKQPSKUXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3.C28H24ClN3O2.C27H26ClN3O2.C23H20ClFN2O4S/c1-17(2)27(30)26(35)14-11-22(33)10-13-25(34)19-6-3-18(4-7-19)5-12-23-24-15-21(29)9-8-20(24)16-32-28(23)31;29-22-10-9-21-18-32-28(30)25(26(21)17-22)14-6-19-4-7-20(8-5-19)27(34)15-13-24(33)12-11-23-3-1-2-16-31-23;28-21-9-8-20-17-31-27(29)24(25(20)16-21)13-5-18-3-6-19(7-4-18)26(33)14-12-23(32)11-10-22-2-1-15-30-22;24-18-7-6-17-14-27-23(26)20(21(17)13-18)9-3-15-1-4-16(5-2-15)22(29)10-8-19(28)11-12-32(25,30)31/h3-4,6-9,15-17,22,27,33H,10-11,13-14,30H2,1-2H3,(H2,31,32);1-5,7-10,16-18,24,33H,11-13,15H2,(H2,30,32);3-4,6-9,16-17,23,32H,1-2,10-12,14-15H2,(H2,29,31);1-2,4-7,13-14,19,28H,8,10-12H2,(H2,26,27).
What are the key properties of 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one?
8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one has a molecular weight of 1896.91 g/mol, XLogP of 18.84, 30 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-9-methyldecane-1,7-dione;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-6-(3,4-dihydro-2H-pyrrol-5-yl)-4-hydroxyhexan-1-one;6-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-3-hydroxy-6-oxohexane-1-sulfonyl fluoride;1-[4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]phenyl]-4-hydroxy-6-pyridin-2-ylhexan-1-one is sourced from PubChem (CID 160606827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).