dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide

C104H125Cl2K2N14NaO23 — CID 158828982

About dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide

dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide (PubChem CID 158828982) has the molecular formula C104H125Cl2K2N14NaO23 and a molecular weight of 2111.31 g/mol. Its IUPAC name is dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide.

Molecular Properties

• Compound Name: dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide
• PubChem CID: 158828982
• Molecular Formula: C104H125Cl2K2N14NaO23
• Molecular Weight: 2111.31 g/mol
• Exact Mass: 2108.76
• IUPAC Name: dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide
• SMILES: C1CCOC1.C1CCOC1.CC(C)(C)c1cc(N)no1.CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1.CCN(CC)CC.COc1cc2nccc(Cl)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)cc3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(N)cc3)c2cc1C(N)=O.Nc1ccc(O)cc1.O=C(Cl)Oc1ccccc1.O=CO[O-].[H-].[K+].[K+].[Na+].[OH-]
• InChI: InChI=1S/C27H27N3O5.C17H15N3O3.C14H16N2O3.C11H9ClN2O2.C7H5ClO2.C7H12N2O.C6H7NO.C6H15N.2C4H8O.CH2O3.2K.Na.H2O.H/c1-27(2,3)25-13-17(30-35-25)12-18(31)11-16-5-7-19(8-6-16)34-23-9-10-29-22-15-24(33-4)21(26(28)32)14-20(22)23;1-22-16-9-14-12(8-13(16)17(19)21)15(6-7-20-14)23-11-4-2-10(18)3-5-11;1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10;1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9;8-7(9)10-6-4-2-1-3-5-6;1-7(2,3)5-4-6(8)9-10-5;7-5-1-3-6(8)4-2-5;1-4-7(5-2)6-3;2*1-2-4-5-3-1;2-1-4-3;;;;;/h5-10,13-15H,11-12H2,1-4H3,(H2,28,32);2-9H,18H2,1H3,(H2,19,21);4-9H,1-3H3,(H,15,16,17);2-5H,1H3,(H2,13,15);1-5H;4H,1-3H3,(H2,8,9);1-4,8H,7H2;4-6H2,1-3H3;2*1-4H2;1,3H;;;;1H2;/q;;;;;;;;;;;3*+1;;-1/p-2
• InChIKey: CZQHHLFRUOFILF-UHFFFAOYSA-L
• XLogP: 10.35
• TPSA: 573.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2111.31
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide?

The IUPAC name of dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide (CID 158828982) is dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide.

What is the SMILES notation for dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide?

The canonical SMILES for dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide is C1CCOC1.C1CCOC1.CC(C)(C)c1cc(N)no1.CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1.CCN(CC)CC.COc1cc2nccc(Cl)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)cc3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(N)cc3)c2cc1C(N)=O.Nc1ccc(O)cc1.O=C(Cl)Oc1ccccc1.O=CO[O-].[H-].[K+].[K+].[Na+].[OH-].

What is the InChIKey of dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide?

The InChIKey is CZQHHLFRUOFILF-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H27N3O5.C17H15N3O3.C14H16N2O3.C11H9ClN2O2.C7H5ClO2.C7H12N2O.C6H7NO.C6H15N.2C4H8O.CH2O3.2K.Na.H2O.H/c1-27(2,3)25-13-17(30-35-25)12-18(31)11-16-5-7-19(8-6-16)34-23-9-10-29-22-15-24(33-4)21(26(28)32)14-20(22)23;1-22-16-9-14-12(8-13(16)17(19)21)15(6-7-20-14)23-11-4-2-10(18)3-5-11;1-14(2,3)11-9-12(16-19-11)15-13(17)18-10-7-5-4-6-8-10;1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9;8-7(9)10-6-4-2-1-3-5-6;1-7(2,3)5-4-6(8)9-10-5;7-5-1-3-6(8)4-2-5;1-4-7(5-2)6-3;2*1-2-4-5-3-1;2-1-4-3;;;;;/h5-10,13-15H,11-12H2,1-4H3,(H2,28,32);2-9H,18H2,1H3,(H2,19,21);4-9H,1-3H3,(H,15,16,17);2-5H,1H3,(H2,13,15);1-5H;4H,1-3H3,(H2,8,9);1-4,8H,7H2;4-6H2,1-3H3;2*1-4H2;1,3H;;;;1H2;/q;;;;;;;;;;;3*+1;;-1/p-2.

What are the key properties of dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide?

dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide has a molecular weight of 2111.31 g/mol, XLogP of 10.35, 21 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;sodium;4-aminophenol;4-(4-aminophenoxy)-7-methoxyquinoline-6-carboxamide;5-tert-butyl-1,2-oxazol-3-amine;4-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;N,N-diethylethanamine;hydride;oxido formate;oxolane;phenyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate;phenyl carbonochloridate;hydroxide is sourced from PubChem (CID 158828982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).