2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one

C108H83Cl5F2N10O9 — CID 159570293

About 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one

2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one (PubChem CID 159570293) has the molecular formula C108H83Cl5F2N10O9 and a molecular weight of 1880.17 g/mol. Its IUPAC name is 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one
• PubChem CID: 159570293
• Molecular Formula: C108H83Cl5F2N10O9
• Molecular Weight: 1880.17 g/mol
• Exact Mass: 1876.48
• IUPAC Name: 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one
• SMILES: CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(C)cc2n1Cc1cc2ccccc2nc1Cl.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cnc2ccccc2c1Cl.CC(=O)c1c(C2=CC=CCC2=O)c2cc(C)c(Cl)cc2n1Cc1cc2ccccc2nc1Cl.COc1ccc2cc(Cn3c(C(C)=O)c(C4=CC=CCC4=O)c4cc(C)c(F)cc43)c(Cl)nc2c1
• InChI: InChI=1S/C28H22ClFN2O3.C27H20Cl2N2O2.C27H22ClN3O2.C26H19ClFN3O2/c1-15-10-21-24(13-22(15)30)32(27(16(2)33)26(21)20-6-4-5-7-25(20)34)14-18-11-17-8-9-19(35-3)12-23(17)31-28(18)29;1-15-11-20-23(13-21(15)28)31(14-18-12-17-7-3-5-9-22(17)30-27(18)29)26(16(2)32)25(20)19-8-4-6-10-24(19)33;1-15-11-21-23(12-16(15)2)31(14-19-13-18-7-4-5-9-22(18)30-26(19)28)25(17(3)32)24(21)20-8-6-10-29-27(20)33;1-14-10-19-22(11-20(14)28)31(13-16-12-30-21-8-4-3-6-17(21)24(16)27)25(15(2)32)23(19)18-7-5-9-29-26(18)33/h4-6,8-13H,7,14H2,1-3H3;3-9,11-13H,10,14H2,1-2H3;4-13H,14H2,1-3H3,(H,29,33);3-12H,13H2,1-2H3,(H,29,33)
• InChIKey: MHSMMKMEANBTIE-UHFFFAOYSA-N
• XLogP: 25.39
• TPSA: 248.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1880.17
LogP ≤ 5	25.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one?

The IUPAC name of 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one (CID 159570293) is 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one.

What is the SMILES notation for 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one?

The canonical SMILES for 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one is CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(C)cc2n1Cc1cc2ccccc2nc1Cl.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cnc2ccccc2c1Cl.CC(=O)c1c(C2=CC=CCC2=O)c2cc(C)c(Cl)cc2n1Cc1cc2ccccc2nc1Cl.COc1ccc2cc(Cn3c(C(C)=O)c(C4=CC=CCC4=O)c4cc(C)c(F)cc43)c(Cl)nc2c1.

What is the InChIKey of 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one?

The InChIKey is MHSMMKMEANBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN2O3.C27H20Cl2N2O2.C27H22ClN3O2.C26H19ClFN3O2/c1-15-10-21-24(13-22(15)30)32(27(16(2)33)26(21)20-6-4-5-7-25(20)34)14-18-11-17-8-9-19(35-3)12-23(17)31-28(18)29;1-15-11-20-23(13-21(15)28)31(14-18-12-17-7-3-5-9-22(17)30-27(18)29)26(16(2)32)25(20)19-8-4-6-10-24(19)33;1-15-11-21-23(12-16(15)2)31(14-19-13-18-7-4-5-9-22(18)30-26(19)28)25(17(3)32)24(21)20-8-6-10-29-27(20)33;1-14-10-19-22(11-20(14)28)31(13-16-12-30-21-8-4-3-6-17(21)24(16)27)25(15(2)32)23(19)18-7-5-9-29-26(18)33/h4-6,8-13H,7,14H2,1-3H3;3-9,11-13H,10,14H2,1-2H3;4-13H,14H2,1-3H3,(H,29,33);3-12H,13H2,1-2H3,(H,29,33).

What are the key properties of 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one?

2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one has a molecular weight of 1880.17 g/mol, XLogP of 25.39, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;2-[2-acetyl-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(4-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 159570293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).