potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride

C30H26ClFKN3O7 — CID 175045315

About potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride

potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride (PubChem CID 175045315) has the molecular formula C30H26ClFKN3O7 and a molecular weight of 634.10 g/mol. Its IUPAC name is potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride.

Molecular Properties

• Compound Name: potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride
• PubChem CID: 175045315
• Molecular Formula: C30H26ClFKN3O7
• Molecular Weight: 634.10 g/mol
• Exact Mass: 633.11
• IUPAC Name: potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride
• SMILES: COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)ccnc2cc1OCCC(=O)O.[H-].[K+]
• InChI: InChI=1S/C30H25ClFN3O7.K.H/c1-40-25-15-20-22(16-26(25)41-13-9-27(36)37)33-12-8-23(20)42-24-7-6-19(14-21(24)31)35-29(39)30(10-11-30)28(38)34-18-4-2-17(32)3-5-18;;/h2-8,12,14-16H,9-11,13H2,1H3,(H,34,38)(H,35,39)(H,36,37);;/q;+1;-1
• InChIKey: NSTPVDVUSACKPH-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 136.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.10
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?

The IUPAC name of potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride (CID 175045315) is potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride.

What is the SMILES notation for potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?

The canonical SMILES for potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride is COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3Cl)ccnc2cc1OCCC(=O)O.[H-].[K+].

What is the InChIKey of potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?

The InChIKey is NSTPVDVUSACKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN3O7.K.H/c1-40-25-15-20-22(16-26(25)41-13-9-27(36)37)33-12-8-23(20)42-24-7-6-19(14-21(24)31)35-29(39)30(10-11-30)28(38)34-18-4-2-17(32)3-5-18;;/h2-8,12,14-16H,9-11,13H2,1H3,(H,34,38)(H,35,39)(H,36,37);;/q;+1;-1.

What are the key properties of potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?

potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride has a molecular weight of 634.10 g/mol, XLogP of 3.16, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride is sourced from PubChem (CID 175045315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).