10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C114H85BrCl8N12O11S2 — CID 161145532

IUPAC10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESO=C(/C=C/c1ccco1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1cnccc1Cl)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Br.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Cl
InChIInChI=1S/C24H19ClN2O3.2C23H17Cl2N3O2.C22H16BrClN2O2S.C22H16Cl2N2O2S/c25-19-9-7-18(8-10-19)24-16-17-4-1-2-6-21(17)23(29)27(24)14-13-26(24)22(28)12-11-20-5-3-15-30-20;24-17-10-8-16(9-11-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)19-6-3-7-20(25)26-19;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-14-26-10-9-20(19)25;23-18-9-12-29-19(18)21(28)26-11-10-25-20(27)17-4-2-1-3-14(17)13-22(25,26)15-5-7-16(24)8-6-15;23-16-7-5-15(6-8-16)22-13-14-3-1-2-4-17(14)20(27)25(22)10-11-26(22)21(28)19-18(24)9-12-29-19/h1-12,15H,13-14,16H2;1-11H,12-14H2;1-10,14H,11-13H2;2*1-9,12H,10-11,13H2/b12-11+;;;;
InChIKeyUNZPVYZUEKLBJT-MOSUJMLHSA-N
MW2226.67 g/mol
LogP23.36
Rot. Bonds11

About 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 161145532) has the molecular formula C114H85BrCl8N12O11S2 and a molecular weight of 2226.67 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
PubChem CID161145532
Molecular FormulaC114H85BrCl8N12O11S2
Molecular Weight2226.67 g/mol
Exact Mass2220.26
IUPAC Name10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
SMILESO=C(/C=C/c1ccco1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1cnccc1Cl)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Br.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Cl
InChIInChI=1S/C24H19ClN2O3.2C23H17Cl2N3O2.C22H16BrClN2O2S.C22H16Cl2N2O2S/c25-19-9-7-18(8-10-19)24-16-17-4-1-2-6-21(17)23(29)27(24)14-13-26(24)22(28)12-11-20-5-3-15-30-20;24-17-10-8-16(9-11-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)19-6-3-7-20(25)26-19;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-14-26-10-9-20(19)25;23-18-9-12-29-19(18)21(28)26-11-10-25-20(27)17-4-2-1-3-14(17)13-22(25,26)15-5-7-16(24)8-6-15;23-16-7-5-15(6-8-16)22-13-14-3-1-2-4-17(14)20(27)25(22)10-11-26(22)21(28)19-18(24)9-12-29-19/h1-12,15H,13-14,16H2;1-11H,12-14H2;1-10,14H,11-13H2;2*1-9,12H,10-11,13H2/b12-11+;;;;
InChIKeyUNZPVYZUEKLBJT-MOSUJMLHSA-N
XLogP23.36
TPSA242.02 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.67
LogP ≤ 523.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-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-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The IUPAC name of 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 161145532) is 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The canonical SMILES for 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is O=C(/C=C/c1ccco1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1cnccc1Cl)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Br.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1sccc1Cl.
What is the InChIKey of 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
The InChIKey is UNZPVYZUEKLBJT-MOSUJMLHSA-N. The full InChI is InChI=1S/C24H19ClN2O3.2C23H17Cl2N3O2.C22H16BrClN2O2S.C22H16Cl2N2O2S/c25-19-9-7-18(8-10-19)24-16-17-4-1-2-6-21(17)23(29)27(24)14-13-26(24)22(28)12-11-20-5-3-15-30-20;24-17-10-8-16(9-11-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)19-6-3-7-20(25)26-19;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-14-26-10-9-20(19)25;23-18-9-12-29-19(18)21(28)26-11-10-25-20(27)17-4-2-1-3-14(17)13-22(25,26)15-5-7-16(24)8-6-15;23-16-7-5-15(6-8-16)22-13-14-3-1-2-4-17(14)20(27)25(22)10-11-26(22)21(28)19-18(24)9-12-29-19/h1-12,15H,13-14,16H2;1-11H,12-14H2;1-10,14H,11-13H2;2*1-9,12H,10-11,13H2/b12-11+;;;;.
What are the key properties of 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?
10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 2226.67 g/mol, XLogP of 23.36, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-(4-chlorophenyl)-1-(4-chloropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(6-chloropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chlorothiophene-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;1-(3-bromothiophene-2-carbonyl)-10a-(4-chlorophenyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 161145532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).