dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide

C125H102ClF18K2N17O21 — CID 157397931

IUPACdipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide
SMILESC.CCOCCN.Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.Nc1ccc(-c2cc(CC(=O)N3CCOCC3)c3ccccc3n2)cc1.O=C(Cc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12)N1CCOCC1.O=C(Cl)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12.O=C(O)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].[N-]=[N+]=CC(=O)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C23H20F3N3O3.C21H21N3O2.C19H11F3N4O2.C18H10ClF3N2O2.C18H11F3N2O3.C16H12N2O2.C4F6O3.C4H11NO.CH2O3.CH4.2K.H/c24-23(25,26)22(31)27-17-7-5-15(6-8-17)20-13-16(18-3-1-2-4-19(18)28-20)14-21(30)29-9-11-32-12-10-29;22-17-7-5-15(6-8-17)20-13-16(18-3-1-2-4-19(18)23-20)14-21(25)24-9-11-26-12-10-24;20-19(21,22)18(28)25-12-7-5-11(6-8-12)16-9-14(17(27)10-24-23)13-3-1-2-4-15(13)26-16;19-16(25)13-9-15(24-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)23-17(26)18(20,21)22;19-18(20,21)17(26)22-11-7-5-10(6-8-11)15-9-13(16(24)25)12-3-1-2-4-14(12)23-15;17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;5-3(6,7)1(11)13-2(12)4(8,9)10;1-2-6-4-3-5;2-1-4-3;;;;/h1-8,13H,9-12,14H2,(H,27,31);1-8,13H,9-12,14,22H2;1-10H,(H,25,28);1-9H,(H,23,26);1-9H,(H,22,26)(H,24,25);1-9H,17H2,(H,19,20);;2-5H2,1H3;1,3H;1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyGALZYZDTRTWWRQ-UHFFFAOYSA-M
MW2633.90 g/mol
LogP16.99
Rot. Bonds23

About dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide

dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide (PubChem CID 157397931) has the molecular formula C125H102ClF18K2N17O21 and a molecular weight of 2633.90 g/mol. Its IUPAC name is dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Namedipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide
PubChem CID157397931
Molecular FormulaC125H102ClF18K2N17O21
Molecular Weight2633.90 g/mol
Exact Mass2631.61
IUPAC Namedipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide
SMILESC.CCOCCN.Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.Nc1ccc(-c2cc(CC(=O)N3CCOCC3)c3ccccc3n2)cc1.O=C(Cc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12)N1CCOCC1.O=C(Cl)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12.O=C(O)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].[N-]=[N+]=CC(=O)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C23H20F3N3O3.C21H21N3O2.C19H11F3N4O2.C18H10ClF3N2O2.C18H11F3N2O3.C16H12N2O2.C4F6O3.C4H11NO.CH2O3.CH4.2K.H/c24-23(25,26)22(31)27-17-7-5-15(6-8-17)20-13-16(18-3-1-2-4-19(18)28-20)14-21(30)29-9-11-32-12-10-29;22-17-7-5-15(6-8-17)20-13-16(18-3-1-2-4-19(18)23-20)14-21(25)24-9-11-26-12-10-24;20-19(21,22)18(28)25-12-7-5-11(6-8-12)16-9-14(17(27)10-24-23)13-3-1-2-4-15(13)26-16;19-16(25)13-9-15(24-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)23-17(26)18(20,21)22;19-18(20,21)17(26)22-11-7-5-10(6-8-11)15-9-13(16(24)25)12-3-1-2-4-14(12)23-15;17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;5-3(6,7)1(11)13-2(12)4(8,9)10;1-2-6-4-3-5;2-1-4-3;;;;/h1-8,13H,9-12,14H2,(H,27,31);1-8,13H,9-12,14,22H2;1-10H,(H,25,28);1-9H,(H,23,26);1-9H,(H,22,26)(H,24,25);1-9H,17H2,(H,19,20);;2-5H2,1H3;1,3H;1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyGALZYZDTRTWWRQ-UHFFFAOYSA-M
XLogP16.99
TPSA577.98 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002633.90
LogP ≤ 516.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide?
The IUPAC name of dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide (CID 157397931) is dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide.
What is the SMILES notation for dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide?
The canonical SMILES for dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide is C.CCOCCN.Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.Nc1ccc(-c2cc(CC(=O)N3CCOCC3)c3ccccc3n2)cc1.O=C(Cc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12)N1CCOCC1.O=C(Cl)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12.O=C(O)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].[N-]=[N+]=CC(=O)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)nc2ccccc12.
What is the InChIKey of dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide?
The InChIKey is GALZYZDTRTWWRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20F3N3O3.C21H21N3O2.C19H11F3N4O2.C18H10ClF3N2O2.C18H11F3N2O3.C16H12N2O2.C4F6O3.C4H11NO.CH2O3.CH4.2K.H/c24-23(25,26)22(31)27-17-7-5-15(6-8-17)20-13-16(18-3-1-2-4-19(18)28-20)14-21(30)29-9-11-32-12-10-29;22-17-7-5-15(6-8-17)20-13-16(18-3-1-2-4-19(18)23-20)14-21(25)24-9-11-26-12-10-24;20-19(21,22)18(28)25-12-7-5-11(6-8-12)16-9-14(17(27)10-24-23)13-3-1-2-4-15(13)26-16;19-16(25)13-9-15(24-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)23-17(26)18(20,21)22;19-18(20,21)17(26)22-11-7-5-10(6-8-11)15-9-13(16(24)25)12-3-1-2-4-14(12)23-15;17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;5-3(6,7)1(11)13-2(12)4(8,9)10;1-2-6-4-3-5;2-1-4-3;;;;/h1-8,13H,9-12,14H2,(H,27,31);1-8,13H,9-12,14,22H2;1-10H,(H,25,28);1-9H,(H,23,26);1-9H,(H,22,26)(H,24,25);1-9H,17H2,(H,19,20);;2-5H2,1H3;1,3H;1H4;;;/q;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide?
dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide has a molecular weight of 2633.90 g/mol, XLogP of 16.99, 23 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-(4-aminophenyl)quinoline-4-carboxylic acid;2-[2-(4-aminophenyl)quinolin-4-yl]-1-morpholin-4-ylethanone;N-[4-[4-(2-diazoacetyl)quinolin-2-yl]phenyl]-2,2,2-trifluoroacetamide;2-ethoxyethanamine;hydride;methane;oxido formate;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carbonyl chloride;2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]quinoline-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-[4-[4-(2-morpholin-4-yl-2-oxoethyl)quinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 157397931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).