10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C100H91ClN10O12 — CID 158916311

IUPAC10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESCOc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)NCc2ccccc2)cc1.COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2cccnc2)cc1.COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2ccoc2)cc1.O=C(CCCc1ccccc1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN2O2.C26H25N3O3.C24H21N3O3.C23H20N2O4/c28-23-15-13-22(14-16-23)27-19-21-10-4-5-11-24(21)26(32)30(27)18-17-29(27)25(31)12-6-9-20-7-2-1-3-8-20;1-32-22-13-11-21(12-14-22)26-17-20-9-5-6-10-23(20)24(30)28(26)15-16-29(26)25(31)27-18-19-7-3-2-4-8-19;1-30-20-10-8-19(9-11-20)24-15-17-5-2-3-7-21(17)23(29)27(24)14-13-26(24)22(28)18-6-4-12-25-16-18;1-28-19-8-6-18(7-9-19)23-14-16-4-2-3-5-20(16)22(27)25(23)12-11-24(23)21(26)17-10-13-29-15-17/h1-5,7-8,10-11,13-16H,6,9,12,17-19H2;2-14H,15-18H2,1H3,(H,27,31);2-12,16H,13-15H2,1H3;2-10,13,15H,11-12,14H2,1H3
InChIKeyJHGRNPPHEBNGDZ-UHFFFAOYSA-N
MW1660.34 g/mol
LogP15.22
Rot. Bonds15

About 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 158916311) has the molecular formula C100H91ClN10O12 and a molecular weight of 1660.34 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
PubChem CID158916311
Molecular FormulaC100H91ClN10O12
Molecular Weight1660.34 g/mol
Exact Mass1658.65
IUPAC Name10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESCOc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)NCc2ccccc2)cc1.COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2cccnc2)cc1.COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2ccoc2)cc1.O=C(CCCc1ccccc1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN2O2.C26H25N3O3.C24H21N3O3.C23H20N2O4/c28-23-15-13-22(14-16-23)27-19-21-10-4-5-11-24(21)26(32)30(27)18-17-29(27)25(31)12-6-9-20-7-2-1-3-8-20;1-32-22-13-11-21(12-14-22)26-17-20-9-5-6-10-23(20)24(30)28(26)15-16-29(26)25(31)27-18-19-7-3-2-4-8-19;1-30-20-10-8-19(9-11-20)24-15-17-5-2-3-7-21(17)23(29)27(24)14-13-26(24)22(28)18-6-4-12-25-16-18;1-28-19-8-6-18(7-9-19)23-14-16-4-2-3-5-20(16)22(27)25(23)12-11-24(23)21(26)17-10-13-29-15-17/h1-5,7-8,10-11,13-16H,6,9,12,17-19H2;2-14H,15-18H2,1H3,(H,27,31);2-12,16H,13-15H2,1H3;2-10,13,15H,11-12,14H2,1H3
InChIKeyJHGRNPPHEBNGDZ-UHFFFAOYSA-N
XLogP15.22
TPSA228.23 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.34
LogP ≤ 515.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The IUPAC name of 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 158916311) is 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The canonical SMILES for 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)NCc2ccccc2)cc1.COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2cccnc2)cc1.COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2ccoc2)cc1.O=C(CCCc1ccccc1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.
What is the InChIKey of 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The InChIKey is JHGRNPPHEBNGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O2.C26H25N3O3.C24H21N3O3.C23H20N2O4/c28-23-15-13-22(14-16-23)27-19-21-10-4-5-11-24(21)26(32)30(27)18-17-29(27)25(31)12-6-9-20-7-2-1-3-8-20;1-32-22-13-11-21(12-14-22)26-17-20-9-5-6-10-23(20)24(30)28(26)15-16-29(26)25(31)27-18-19-7-3-2-4-8-19;1-30-20-10-8-19(9-11-20)24-15-17-5-2-3-7-21(17)23(29)27(24)14-13-26(24)22(28)18-6-4-12-25-16-18;1-28-19-8-6-18(7-9-19)23-14-16-4-2-3-5-20(16)22(27)25(23)12-11-24(23)21(26)17-10-13-29-15-17/h1-5,7-8,10-11,13-16H,6,9,12,17-19H2;2-14H,15-18H2,1H3,(H,27,31);2-12,16H,13-15H2,1H3;2-10,13,15H,11-12,14H2,1H3.
What are the key properties of 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 1660.34 g/mol, XLogP of 15.22, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-methoxyphenyl)-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;1-(furan-3-carbonyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 158916311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).