(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate

C145H139F5N12O25 — CID 158545325

IUPAC(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate
SMILESCOC(=O)c1cc(N)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.COCCC(=O)Nc1cc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC2CCN(C(C)=O)CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC2CCN(C(C)=O)CC2)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C35H36FN3O6.C29H27FN2O5.C28H30FN3O6.C28H25FN2O5.C25H21FN2O3/c1-23(40)39-15-12-28(13-16-39)45-35(42)30-20-31(38-32(41)14-17-43-2)29-19-26(18-24-8-10-27(36)11-9-24)21-37-33(29)34(30)44-22-25-6-4-3-5-7-25;1-35-13-12-26(33)32-25-16-24(29(34)36-2)28(37-18-20-6-4-3-5-7-20)27-23(25)15-21(17-31-27)14-19-8-10-22(30)11-9-19;1-17(33)32-10-7-21(8-11-32)38-28(36)23-15-24(31-25(34)9-12-37-2)22-14-19(16-30-26(22)27(23)35)13-18-3-5-20(29)6-4-18;1-35-12-11-25(32)31-24-15-23(28(33)34)27(36-17-19-5-3-2-4-6-19)26-22(24)14-20(16-30-26)13-18-7-9-21(29)10-8-18;1-30-25(29)21-13-22(27)20-12-18(11-16-7-9-19(26)10-8-16)14-28-23(20)24(21)31-15-17-5-3-2-4-6-17/h3-11,19-21,28H,12-18,22H2,1-2H3,(H,38,41);3-11,15-17H,12-14,18H2,1-2H3,(H,32,33);3-6,14-16,21,35H,7-13H2,1-2H3,(H,31,34);2-10,14-16H,11-13,17H2,1H3,(H,31,32)(H,33,34);2-10,12-14H,11,15,27H2,1H3
InChIKeyHPAQGUSQCSDSPJ-UHFFFAOYSA-N
MW2544.76 g/mol
LogP24.93
Rot. Bonds45

About (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate

(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate (PubChem CID 158545325) has the molecular formula C145H139F5N12O25 and a molecular weight of 2544.76 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate
PubChem CID158545325
Molecular FormulaC145H139F5N12O25
Molecular Weight2544.76 g/mol
Exact Mass2542.99
IUPAC Name(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate
SMILESCOC(=O)c1cc(N)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.COCCC(=O)Nc1cc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC2CCN(C(C)=O)CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC2CCN(C(C)=O)CC2)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C35H36FN3O6.C29H27FN2O5.C28H30FN3O6.C28H25FN2O5.C25H21FN2O3/c1-23(40)39-15-12-28(13-16-39)45-35(42)30-20-31(38-32(41)14-17-43-2)29-19-26(18-24-8-10-27(36)11-9-24)21-37-33(29)34(30)44-22-25-6-4-3-5-7-25;1-35-13-12-26(33)32-25-16-24(29(34)36-2)28(37-18-20-6-4-3-5-7-20)27-23(25)15-21(17-31-27)14-19-8-10-22(30)11-9-19;1-17(33)32-10-7-21(8-11-32)38-28(36)23-15-24(31-25(34)9-12-37-2)22-14-19(16-30-26(22)27(23)35)13-18-3-5-20(29)6-4-18;1-35-12-11-25(32)31-24-15-23(28(33)34)27(36-17-19-5-3-2-4-6-19)26-22(24)14-20(16-30-26)13-18-7-9-21(29)10-8-18;1-30-25(29)21-13-22(27)20-12-18(11-16-7-9-19(26)10-8-16)14-28-23(20)24(21)31-15-17-5-3-2-4-6-17/h3-11,19-21,28H,12-18,22H2,1-2H3,(H,38,41);3-11,15-17H,12-14,18H2,1-2H3,(H,32,33);3-6,14-16,21,35H,7-13H2,1-2H3,(H,31,34);2-10,14-16H,11-13,17H2,1H3,(H,31,32)(H,33,34);2-10,12-14H,11,15,27H2,1H3
InChIKeyHPAQGUSQCSDSPJ-UHFFFAOYSA-N
XLogP24.93
TPSA484.06 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002544.76
LogP ≤ 524.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate?
The IUPAC name of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate (CID 158545325) is (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate.
What is the SMILES notation for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate?
The canonical SMILES for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate is COC(=O)c1cc(N)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1.COCCC(=O)Nc1cc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC2CCN(C(C)=O)CC2)c(O)c2ncc(Cc3ccc(F)cc3)cc12.COCCC(=O)Nc1cc(C(=O)OC2CCN(C(C)=O)CC2)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate?
The InChIKey is HPAQGUSQCSDSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN3O6.C29H27FN2O5.C28H30FN3O6.C28H25FN2O5.C25H21FN2O3/c1-23(40)39-15-12-28(13-16-39)45-35(42)30-20-31(38-32(41)14-17-43-2)29-19-26(18-24-8-10-27(36)11-9-24)21-37-33(29)34(30)44-22-25-6-4-3-5-7-25;1-35-13-12-26(33)32-25-16-24(29(34)36-2)28(37-18-20-6-4-3-5-7-20)27-23(25)15-21(17-31-27)14-19-8-10-22(30)11-9-19;1-17(33)32-10-7-21(8-11-32)38-28(36)23-15-24(31-25(34)9-12-37-2)22-14-19(16-30-26(22)27(23)35)13-18-3-5-20(29)6-4-18;1-35-12-11-25(32)31-24-15-23(28(33)34)27(36-17-19-5-3-2-4-6-19)26-22(24)14-20(16-30-26)13-18-7-9-21(29)10-8-18;1-30-25(29)21-13-22(27)20-12-18(11-16-7-9-19(26)10-8-16)14-28-23(20)24(21)31-15-17-5-3-2-4-6-17/h3-11,19-21,28H,12-18,22H2,1-2H3,(H,38,41);3-11,15-17H,12-14,18H2,1-2H3,(H,32,33);3-6,14-16,21,35H,7-13H2,1-2H3,(H,31,34);2-10,14-16H,11-13,17H2,1H3,(H,31,32)(H,33,34);2-10,12-14H,11,15,27H2,1H3.
What are the key properties of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate?
(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate has a molecular weight of 2544.76 g/mol, XLogP of 24.93, 45 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-methoxypropanoylamino)quinoline-7-carboxylate;(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate;3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylic acid;methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-5-(3-methoxypropanoylamino)-8-phenylmethoxyquinoline-7-carboxylate is sourced from PubChem (CID 158545325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).