10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C93H72Cl6FN11O9S — CID 160638698

IUPAC10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESCOc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1.O=C(c1cccnc1)N1CCCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ncccc1Cl.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1nsc(Cl)c1Cl
InChIInChI=1S/C25H21FN2O3.C24H20ClN3O2.C23H17Cl2N3O2.C21H14Cl3N3O2S/c1-31-21-12-8-19(9-13-21)25-16-18-4-2-3-5-22(18)24(30)28(25)15-14-27(25)23(29)17-6-10-20(26)11-7-17;25-20-10-8-19(9-11-20)24-15-17-5-1-2-7-21(17)23(30)28(24)14-4-13-27(24)22(29)18-6-3-12-26-16-18;24-17-9-7-16(8-10-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)20-19(25)6-3-11-26-20;22-14-7-5-13(6-8-14)21-11-12-3-1-2-4-15(12)19(28)26(21)9-10-27(21)20(29)17-16(23)18(24)30-25-17/h2-13H,14-16H2,1H3;1-3,5-12,16H,4,13-15H2;1-11H,12-14H2;1-8H,9-11H2
InChIKeyRIWNTSFLPZSZDY-UHFFFAOYSA-N
MW1751.45 g/mol
LogP17.48
Rot. Bonds9

About 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 160638698) has the molecular formula C93H72Cl6FN11O9S and a molecular weight of 1751.45 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
PubChem CID160638698
Molecular FormulaC93H72Cl6FN11O9S
Molecular Weight1751.45 g/mol
Exact Mass1747.34
IUPAC Name10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESCOc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1.O=C(c1cccnc1)N1CCCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ncccc1Cl.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1nsc(Cl)c1Cl
InChIInChI=1S/C25H21FN2O3.C24H20ClN3O2.C23H17Cl2N3O2.C21H14Cl3N3O2S/c1-31-21-12-8-19(9-13-21)25-16-18-4-2-3-5-22(18)24(30)28(25)15-14-27(25)23(29)17-6-10-20(26)11-7-17;25-20-10-8-19(9-11-20)24-15-17-5-1-2-7-21(17)23(30)28(24)14-4-13-27(24)22(29)18-6-3-12-26-16-18;24-17-9-7-16(8-10-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)20-19(25)6-3-11-26-20;22-14-7-5-13(6-8-14)21-11-12-3-1-2-4-15(12)19(28)26(21)9-10-27(21)20(29)17-16(23)18(24)30-25-17/h2-13H,14-16H2,1H3;1-3,5-12,16H,4,13-15H2;1-11H,12-14H2;1-8H,9-11H2
InChIKeyRIWNTSFLPZSZDY-UHFFFAOYSA-N
XLogP17.48
TPSA210.38 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001751.45
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-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

10a-(4-chlorophenyl)-1-[2-(4-methoxyphenyl)acetyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[4-(4-methylphenyl)butanoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-[3-(4-methylphenyl)propanoyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(4-phenylbutanoyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(3-phenylpropanoyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;10a-(4-chlorophenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
CID 159346059

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The IUPAC name of 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 160638698) is 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The canonical SMILES for 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is COc1ccc(C23Cc4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1.O=C(c1cccnc1)N1CCCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ncccc1Cl.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1nsc(Cl)c1Cl.
What is the InChIKey of 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The InChIKey is RIWNTSFLPZSZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3.C24H20ClN3O2.C23H17Cl2N3O2.C21H14Cl3N3O2S/c1-31-21-12-8-19(9-13-21)25-16-18-4-2-3-5-22(18)24(30)28(25)15-14-27(25)23(29)17-6-10-20(26)11-7-17;25-20-10-8-19(9-11-20)24-15-17-5-1-2-7-21(17)23(30)28(24)14-4-13-27(24)22(29)18-6-3-12-26-16-18;24-17-9-7-16(8-10-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)20-19(25)6-3-11-26-20;22-14-7-5-13(6-8-14)21-11-12-3-1-2-4-15(12)19(28)26(21)9-10-27(21)20(29)17-16(23)18(24)30-25-17/h2-13H,14-16H2,1H3;1-3,5-12,16H,4,13-15H2;1-11H,12-14H2;1-8H,9-11H2.
What are the key properties of 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 1751.45 g/mol, XLogP of 17.48, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-(4-chlorophenyl)-1-(3-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4,5-dichloro-1,2-thiazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;11a-(4-chlorophenyl)-1-(pyridine-3-carbonyl)-2,3,4,11-tetrahydropyrimido[1,2-b]isoquinolin-6-one;1-(4-fluorobenzoyl)-10a-(4-methoxyphenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 160638698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).