1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate

C78H57Cl3F3N9O9 — CID 159414736

About 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate

1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate (PubChem CID 159414736) has the molecular formula C78H57Cl3F3N9O9 and a molecular weight of 1427.72 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate.

Molecular Properties

• Compound Name: 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate
• PubChem CID: 159414736
• Molecular Formula: C78H57Cl3F3N9O9
• Molecular Weight: 1427.72 g/mol
• Exact Mass: 1425.33
• IUPAC Name: 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate
• SMILES: COC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl.COC(=O)c1c(-c2cccnc2OC)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4nc3Cl)c2cc1F
• InChI: InChI=1S/C27H21ClFN3O3.C26H19ClFN3O3.C25H17ClFN3O3/c1-15-11-19-22(13-20(15)29)32(14-17-12-16-7-4-5-9-21(16)31-25(17)28)24(27(33)35-3)23(19)18-8-6-10-30-26(18)34-2;1-14-10-18-21(12-19(14)28)31(13-16-11-15-6-3-4-8-20(15)30-24(16)27)23(26(33)34-2)22(18)17-7-5-9-29-25(17)32;1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h4-13H,14H2,1-3H3;3-12H,13H2,1-2H3,(H,29,32);2-11H,12H2,1H3,(H,28,31)(H,32,33)
• InChIKey: LPAGGGNEIAOWLE-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 231.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.72
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate?

The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate (CID 159414736) is 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate.

What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate?

The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate is COC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl.COC(=O)c1c(-c2cccnc2OC)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl.Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4nc3Cl)c2cc1F.

What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate?

The InChIKey is LPAGGGNEIAOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN3O3.C26H19ClFN3O3.C25H17ClFN3O3/c1-15-11-19-22(13-20(15)29)32(14-17-12-16-7-4-5-9-21(16)31-25(17)28)24(27(33)35-3)23(19)18-8-6-10-30-26(18)34-2;1-14-10-18-21(12-19(14)28)31(13-16-11-15-6-3-4-8-20(15)30-24(16)27)23(26(33)34-2)22(18)17-7-5-9-29-25(17)32;1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h4-13H,14H2,1-3H3;3-12H,13H2,1-2H3,(H,29,32);2-11H,12H2,1H3,(H,28,31)(H,32,33).

What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate?

1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate has a molecular weight of 1427.72 g/mol, XLogP of 17.07, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate is sourced from PubChem (CID 159414736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).