lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide

C53H41Cl2F2LiN6O7 — CID 158105285

About lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide

lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide (PubChem CID 158105285) has the molecular formula C53H41Cl2F2LiN6O7 and a molecular weight of 989.79 g/mol. Its IUPAC name is lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide
• PubChem CID: 158105285
• Molecular Formula: C53H41Cl2F2LiN6O7
• Molecular Weight: 989.79 g/mol
• Exact Mass: 988.25
• IUPAC Name: lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide
• SMILES: COC(=O)c1c(-c2cccnc2OC)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl.COc1ncccc1-c1c(C(=O)O)n(Cc2cc3ccccc3nc2Cl)c2cc(F)c(C)cc12.[Li+].[OH-]
• InChI: InChI=1S/C27H21ClFN3O3.C26H19ClFN3O3.Li.H2O/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(32)33)22(18)17-7-5-9-29-25(17)34-2;;/h4-13H,14H2,1-3H3;3-12H,13H2,1-2H3,(H,32,33);;1H2/q;;+1;/p-1
• InChIKey: FPTGHRLXOSQQSM-UHFFFAOYSA-M
• XLogP: 9.13
• TPSA: 173.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.79
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide?

The IUPAC name of lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide (CID 158105285) is lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide.

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

The canonical SMILES for lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide is COC(=O)c1c(-c2cccnc2OC)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl.COc1ncccc1-c1c(C(=O)O)n(Cc2cc3ccccc3nc2Cl)c2cc(F)c(C)cc12.[Li+].[OH-].

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

The InChIKey is FPTGHRLXOSQQSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H21ClFN3O3.C26H19ClFN3O3.Li.H2O/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(32)33)22(18)17-7-5-9-29-25(17)34-2;;/h4-13H,14H2,1-3H3;3-12H,13H2,1-2H3,(H,32,33);;1H2/q;;+1;/p-1.

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

lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide has a molecular weight of 989.79 g/mol, XLogP of 9.13, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylic acid;methyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-3-(2-methoxy-3-pyridinyl)-5-methylindole-2-carboxylate;hydroxide is sourced from PubChem (CID 158105285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).