3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid

C131H127N14O22+ — CID 158182330

About 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid

3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid (PubChem CID 158182330) has the molecular formula C131H127N14O22+ and a molecular weight of 2249.53 g/mol. Its IUPAC name is 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid.

Molecular Properties

• Compound Name: 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid
• PubChem CID: 158182330
• Molecular Formula: C131H127N14O22+
• Molecular Weight: 2249.53 g/mol
• Exact Mass: 2247.92
• IUPAC Name: 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid
• SMILES: C.CC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3ccc(N)nc23)cc1.CC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3cccnc23)cc1.COc1ccc(C(=O)NCCC(=O)OC(C)(C)C)cc1.Nc1ccc2cccc(Oc3ccc(C(=O)NCCC(=O)O)cc3)c2n1.O=C(O)c1ccc(Oc2cccc3cccnc23)cc1.O[n+]1cccc2ccccc21.Oc1cccc2cccnc12.[C-]#[N+]c1ccc(Oc2cccc3cccnc23)cc1
• InChI: InChI=1S/C23H25N3O4.C23H24N2O4.C19H17N3O4.C16H10N2O.C16H11NO3.C15H21NO4.C9H7NO.C9H8NO.CH4/c1-23(2,3)30-20(27)13-14-25-22(28)16-7-10-17(11-8-16)29-18-6-4-5-15-9-12-19(24)26-21(15)18;1-23(2,3)29-20(26)13-15-25-22(27)17-9-11-18(12-10-17)28-19-8-4-6-16-7-5-14-24-21(16)19;20-16-9-6-12-2-1-3-15(18(12)22-16)26-14-7-4-13(5-8-14)19(25)21-11-10-17(23)24;1-17-13-7-9-14(10-8-13)19-15-6-2-4-12-5-3-11-18-16(12)15;18-16(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-17-15(11)14;1-15(2,3)20-13(17)9-10-16-14(18)11-5-7-12(19-4)8-6-11;11-8-5-1-3-7-4-2-6-10-9(7)8;11-10-7-3-5-8-4-1-2-6-9(8)10;/h4-12H,13-14H2,1-3H3,(H2,24,26)(H,25,28);4-12,14H,13,15H2,1-3H3,(H,25,27);1-9H,10-11H2,(H2,20,22)(H,21,25)(H,23,24);2-11H;1-10H,(H,18,19);5-8H,9-10H2,1-4H3,(H,16,18);1-6,11H;1-7,11H;1H4/q;;;;;;;+1
• InChIKey: SFGGFCZBWKDWFZ-UHFFFAOYSA-N
• XLogP: 25.77
• TPSA: 503.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2249.53
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid?

The IUPAC name of 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid (CID 158182330) is 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid.

What is the SMILES notation for 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid?

The canonical SMILES for 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid is C.CC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3ccc(N)nc23)cc1.CC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3cccnc23)cc1.COc1ccc(C(=O)NCCC(=O)OC(C)(C)C)cc1.Nc1ccc2cccc(Oc3ccc(C(=O)NCCC(=O)O)cc3)c2n1.O=C(O)c1ccc(Oc2cccc3cccnc23)cc1.O[n+]1cccc2ccccc21.Oc1cccc2cccnc12.[C-]#[N+]c1ccc(Oc2cccc3cccnc23)cc1.

What is the InChIKey of 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid?

The InChIKey is SFGGFCZBWKDWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.C23H24N2O4.C19H17N3O4.C16H10N2O.C16H11NO3.C15H21NO4.C9H7NO.C9H8NO.CH4/c1-23(2,3)30-20(27)13-14-25-22(28)16-7-10-17(11-8-16)29-18-6-4-5-15-9-12-19(24)26-21(15)18;1-23(2,3)29-20(26)13-15-25-22(27)17-9-11-18(12-10-17)28-19-8-4-6-16-7-5-14-24-21(16)19;20-16-9-6-12-2-1-3-15(18(12)22-16)26-14-7-4-13(5-8-14)19(25)21-11-10-17(23)24;1-17-13-7-9-14(10-8-13)19-15-6-2-4-12-5-3-11-18-16(12)15;18-16(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-17-15(11)14;1-15(2,3)20-13(17)9-10-16-14(18)11-5-7-12(19-4)8-6-11;11-8-5-1-3-7-4-2-6-10-9(7)8;11-10-7-3-5-8-4-1-2-6-9(8)10;/h4-12H,13-14H2,1-3H3,(H2,24,26)(H,25,28);4-12,14H,13,15H2,1-3H3,(H,25,27);1-9H,10-11H2,(H2,20,22)(H,21,25)(H,23,24);2-11H;1-10H,(H,18,19);5-8H,9-10H2,1-4H3,(H,16,18);1-6,11H;1-7,11H;1H4/q;;;;;;;+1;.

What are the key properties of 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid?

3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid has a molecular weight of 2249.53 g/mol, XLogP of 25.77, 28 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoic acid;tert-butyl 3-[[4-(2-aminoquinolin-8-yl)oxybenzoyl]amino]propanoate;tert-butyl 3-[(4-methoxybenzoyl)amino]propanoate;tert-butyl 3-[(4-quinolin-8-yloxybenzoyl)amino]propanoate;1-hydroxyquinolin-1-ium;8-(4-isocyanophenoxy)quinoline;methane;quinolin-8-ol;4-quinolin-8-yloxybenzoic acid is sourced from PubChem (CID 158182330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).