potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide

C100H106Cl15F7KN4NaO25 — CID 158162870

About potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide

potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide (PubChem CID 158162870) has the molecular formula C100H106Cl15F7KN4NaO25 and a molecular weight of 2490.82 g/mol. Its IUPAC name is potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide.

Molecular Properties

• Compound Name: potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide
• PubChem CID: 158162870
• Molecular Formula: C100H106Cl15F7KN4NaO25
• Molecular Weight: 2490.82 g/mol
• Exact Mass: 2482.19
• IUPAC Name: potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide
• SMILES: CC(=O)Cl.CC(=O)c1cc(F)c(Cl)cc1Cl.CCO/C=C(\C(=O)OCC)C(=O)c1cc(F)c(Cl)cc1Cl.CCOC(=O)C(/C=N/C1CC1)=C(O)c1cc(F)c(Cl)cc1Cl.CCOC(=O)CC(=O)c1cc(F)c(Cl)cc1Cl.CCOC(=O)OCC.CCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.CCOC(OCC)OCC.ClCCl.Fc1ccc(Cl)cc1Cl.NC1CC1.O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.[H-].[K+].[Na+].[OH-]
• InChI: InChI=1S/C15H14Cl2FNO3.C15H13ClFNO3.C14H13Cl2FO4.C13H9ClFNO3.C11H9Cl2FO3.C8H5Cl2FO.C7H16O3.C6H3Cl2F.C5H10O3.C3H7N.C2H3ClO.CH2Cl2.K.Na.H2O.H/c1-2-22-15(21)10(7-19-8-3-4-8)14(20)9-5-13(18)12(17)6-11(9)16;1-2-21-15(20)10-7-18(8-3-4-8)13-6-11(16)12(17)5-9(13)14(10)19;1-3-20-7-9(14(19)21-4-2)13(18)8-5-12(17)11(16)6-10(8)15;14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6;1-2-17-11(16)5-10(15)6-3-9(14)8(13)4-7(6)12;1-4(12)5-2-8(11)7(10)3-6(5)9;1-4-8-7(9-5-2)10-6-3;7-4-1-2-6(9)5(8)3-4;1-3-7-5(6)8-4-2;4-3-1-2-3;1-2(3)4;2-1-3;;;;/h5-8,20H,2-4H2,1H3;5-8H,2-4H2,1H3;5-7H,3-4H2,1-2H3;3-6H,1-2H2,(H,18,19);3-4H,2,5H2,1H3;2-3H,1H3;7H,4-6H2,1-3H3;1-3H;3-4H2,1-2H3;3H,1-2,4H2;1H3;1H2;;;1H2;/q;;;;;;;;;;;;2*+1;;-1/p-1/b14-10?,19-7+;;9-7-
• InChIKey: MIDISEFZEWCABR-PRBAMFJESA-M
• XLogP: 22.67
• TPSA: 415.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2490.82
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide?

The IUPAC name of potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide (CID 158162870) is potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide.

What is the SMILES notation for potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide?

The canonical SMILES for potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide is CC(=O)Cl.CC(=O)c1cc(F)c(Cl)cc1Cl.CCO/C=C(\C(=O)OCC)C(=O)c1cc(F)c(Cl)cc1Cl.CCOC(=O)C(/C=N/C1CC1)=C(O)c1cc(F)c(Cl)cc1Cl.CCOC(=O)CC(=O)c1cc(F)c(Cl)cc1Cl.CCOC(=O)OCC.CCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.CCOC(OCC)OCC.ClCCl.Fc1ccc(Cl)cc1Cl.NC1CC1.O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.[H-].[K+].[Na+].[OH-].

What is the InChIKey of potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide?

The InChIKey is MIDISEFZEWCABR-PRBAMFJESA-M. The full InChI is InChI=1S/C15H14Cl2FNO3.C15H13ClFNO3.C14H13Cl2FO4.C13H9ClFNO3.C11H9Cl2FO3.C8H5Cl2FO.C7H16O3.C6H3Cl2F.C5H10O3.C3H7N.C2H3ClO.CH2Cl2.K.Na.H2O.H/c1-2-22-15(21)10(7-19-8-3-4-8)14(20)9-5-13(18)12(17)6-11(9)16;1-2-21-15(20)10-7-18(8-3-4-8)13-6-11(16)12(17)5-9(13)14(10)19;1-3-20-7-9(14(19)21-4-2)13(18)8-5-12(17)11(16)6-10(8)15;14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6;1-2-17-11(16)5-10(15)6-3-9(14)8(13)4-7(6)12;1-4(12)5-2-8(11)7(10)3-6(5)9;1-4-8-7(9-5-2)10-6-3;7-4-1-2-6(9)5(8)3-4;1-3-7-5(6)8-4-2;4-3-1-2-3;1-2(3)4;2-1-3;;;;/h5-8,20H,2-4H2,1H3;5-8H,2-4H2,1H3;5-7H,3-4H2,1-2H3;3-6H,1-2H2,(H,18,19);3-4H,2,5H2,1H3;2-3H,1H3;7H,4-6H2,1-3H3;1-3H;3-4H2,1-2H3;3H,1-2,4H2;1H3;1H2;;;1H2;/q;;;;;;;;;;;;2*+1;;-1/p-1/b14-10?,19-7+;;9-7-;;;;;;;;;;;;;.

What are the key properties of potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide?

potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide has a molecular weight of 2490.82 g/mol, XLogP of 22.67, 29 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;acetyl chloride;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;cyclopropanamine;2,4-dichloro-1-fluorobenzene;1-(2,4-dichloro-5-fluorophenyl)ethanone;dichloromethane;diethoxymethoxyethane;diethyl carbonate;ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate;ethyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate;ethyl (Z)-2-(2,4-dichloro-5-fluorobenzoyl)-3-ethoxyprop-2-enoate;ethyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;hydride;hydroxide is sourced from PubChem (CID 158162870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).