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

C30H26ClFKN3O7 — CID 175042660

IUPACpotassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride
SMILESCOc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5cccc(Cl)c5)CC4)cc3F)ccnc2cc1OCCC(=O)O.[H-].[K+]
InChIInChI=1S/C30H25ClFN3O7.K.H/c1-40-25-15-20-22(16-26(25)41-12-8-27(36)37)33-11-7-23(20)42-24-6-5-19(14-21(24)32)35-29(39)30(9-10-30)28(38)34-18-4-2-3-17(31)13-18;;/h2-7,11,13-16H,8-10,12H2,1H3,(H,34,38)(H,35,39)(H,36,37);;/q;+1;-1
InChIKeyYQQJRDYPYYKANA-UHFFFAOYSA-N
MW634.10 g/mol
LogP3.16
Rot. Bonds11

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

potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride (PubChem CID 175042660) has the molecular formula C30H26ClFKN3O7 and a molecular weight of 634.10 g/mol. Its IUPAC name is potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride.

Molecular Properties

Compound Namepotassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride
PubChem CID175042660
Molecular FormulaC30H26ClFKN3O7
Molecular Weight634.10 g/mol
Exact Mass633.11
IUPAC Namepotassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride
SMILESCOc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5cccc(Cl)c5)CC4)cc3F)ccnc2cc1OCCC(=O)O.[H-].[K+]
InChIInChI=1S/C30H25ClFN3O7.K.H/c1-40-25-15-20-22(16-26(25)41-12-8-27(36)37)33-11-7-23(20)42-24-6-5-19(14-21(24)32)35-29(39)30(9-10-30)28(38)34-18-4-2-3-17(31)13-18;;/h2-7,11,13-16H,8-10,12H2,1H3,(H,34,38)(H,35,39)(H,36,37);;/q;+1;-1
InChIKeyYQQJRDYPYYKANA-UHFFFAOYSA-N
XLogP3.16
TPSA136.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.10
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

potassium 3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoate
CID 139415300
lithium 7-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyheptanoate
CID 139415422
potassium;3-[4-[2-chloro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride
CID 175045315
sodium;4-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;hydride
CID 175043268
sodium;5-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypentanoic acid;hydride
CID 175044490
1-N'-[3-fluoro-4-[6-methoxy-7-[3-(1-methylcyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 71106026
[3-hydroxy-2-(hydroxymethyl)propyl] 2-amino-2-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxyacetate
CID 139415303
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluoro-3-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
CID 90435587
1-N'-[4-[7-(3-bromopropoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 164779111
potassium 2-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyacetate
CID 139415241
magnesium bis(6-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyhexanoate)
CID 142330478
calcium bis(7-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyheptanoate)
CID 142330410

Frequently Asked Questions

What is the IUPAC name of potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?
The IUPAC name of potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride (CID 175042660) is potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride.
What is the SMILES notation for potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?
The canonical SMILES for potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride is COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5cccc(Cl)c5)CC4)cc3F)ccnc2cc1OCCC(=O)O.[H-].[K+].
What is the InChIKey of potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?
The InChIKey is YQQJRDYPYYKANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN3O7.K.H/c1-40-25-15-20-22(16-26(25)41-12-8-27(36)37)33-11-7-23(20)42-24-6-5-19(14-21(24)32)35-29(39)30(9-10-30)28(38)34-18-4-2-3-17(31)13-18;;/h2-7,11,13-16H,8-10,12H2,1H3,(H,34,38)(H,35,39)(H,36,37);;/q;+1;-1.
What are the key properties of potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride?
potassium;3-[4-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-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-[4-[[1-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxypropanoic acid;hydride is sourced from PubChem (CID 175042660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).