1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid

C52H40ClF3N6O7 — CID 143774069

About 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid

1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid (PubChem CID 143774069) has the molecular formula C52H40ClF3N6O7 and a molecular weight of 953.37 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid
• PubChem CID: 143774069
• Molecular Formula: C52H40ClF3N6O7
• Molecular Weight: 953.37 g/mol
• Exact Mass: 952.26
• IUPAC Name: 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid
• SMILES: CC.Cc1ccc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4[nH]c3=O)c2c1.O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl
• InChI: InChI=1S/C25H15ClF3N3O3.C25H19N3O4.C2H6/c26-22-14(10-13-4-1-2-6-18(13)31-22)12-32-19-8-7-15(25(27,28)29)11-17(19)20(21(32)24(34)35)16-5-3-9-30-23(16)33;1-14-8-9-17-20(11-14)28(13-16-12-15-5-2-3-7-19(15)27-23(16)29)22(25(31)32)21(17)18-6-4-10-26-24(18)30;1-2/h1-11H,12H2,(H,30,33)(H,34,35);2-12H,13H2,1H3,(H,26,30)(H,27,29)(H,31,32);1-2H3
• InChIKey: VENAEUSAMJRHIU-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 195.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.37
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?

The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid (CID 143774069) is 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid.

What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?

The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid is CC.Cc1ccc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4[nH]c3=O)c2c1.O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl.

What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?

The InChIKey is VENAEUSAMJRHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF3N3O3.C25H19N3O4.C2H6/c26-22-14(10-13-4-1-2-6-18(13)31-22)12-32-19-8-7-15(25(27,28)29)11-17(19)20(21(32)24(34)35)16-5-3-9-30-23(16)33;1-14-8-9-17-20(11-14)28(13-16-12-15-5-2-3-7-19(15)27-23(16)29)22(25(31)32)21(17)18-6-4-10-26-24(18)30;1-2/h1-11H,12H2,(H,30,33)(H,34,35);2-12H,13H2,1H3,(H,26,30)(H,27,29)(H,31,32);1-2H3.

What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?

1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid has a molecular weight of 953.37 g/mol, XLogP of 10.88, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chloroquinolin-3-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;ethane;6-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 143774069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).