tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate

C132H162Cl4N14O24 — CID 159914190

About tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate (PubChem CID 159914190) has the molecular formula C132H162Cl4N14O24 and a molecular weight of 2470.63 g/mol. Its IUPAC name is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate.

Molecular Properties

• Compound Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate
• PubChem CID: 159914190
• Molecular Formula: C132H162Cl4N14O24
• Molecular Weight: 2470.63 g/mol
• Exact Mass: 2467.06
• IUPAC Name: tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate
• SMILES: C.C1CCOC1.C1CCOC1.CC(C)(C)OC(=O)N1CCC(N)C1.CCC(=O)N1CCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(C(=O)NC)cc34)cc2Cl)C1.CCN(CC)CC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CCNC4)c(Cl)c3)ccnc2cc1OC.COc1cc2nccc(Oc3ccc(CC(=O)Oc4ccccc4)c(Cl)c3)c2cc1C(N)=O
• InChI: InChI=1S/C30H34ClN3O6.C28H30ClN3O5.C25H26ClN3O4.C25H19ClN2O5.C9H18N2O2.C6H15N.2C4H8O.CH4/c1-30(2,3)40-29(37)34-11-9-18(17-34)12-20(35)13-19-6-7-21(14-24(19)31)39-26-8-10-33-25-16-27(38-5)23(15-22(25)26)28(36)32-4;1-4-27(34)32-10-8-17(16-32)11-19(33)12-18-5-6-20(13-23(18)29)37-25-7-9-31-24-15-26(36-3)22(14-21(24)25)28(35)30-2;1-27-25(31)20-12-19-22(13-24(20)32-2)29-8-6-23(19)33-18-4-3-16(21(26)11-18)10-17(30)9-15-5-7-28-14-15;1-31-23-14-21-18(13-19(23)25(27)30)22(9-10-28-21)32-17-8-7-15(20(26)12-17)11-24(29)33-16-5-3-2-4-6-16;1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-4-7(5-2)6-3;2*1-2-4-5-3-1;/h6-8,10,14-16,18H,9,11-13,17H2,1-5H3,(H,32,36);5-7,9,13-15,17H,4,8,10-12,16H2,1-3H3,(H,30,35);3-4,6,8,11-13,15,28H,5,7,9-10,14H2,1-2H3,(H,27,31);2-10,12-14H,11H2,1H3,(H2,27,30);7H,4-6,10H2,1-3H3;4-6H2,1-3H3;2*1-4H2;1H4
• InChIKey: NXOJAADDERMFBQ-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 472.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.63
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate?

The IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate (CID 159914190) is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate.

What is the SMILES notation for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate?

The canonical SMILES for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate is C.C1CCOC1.C1CCOC1.CC(C)(C)OC(=O)N1CCC(N)C1.CCC(=O)N1CCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(C(=O)NC)cc34)cc2Cl)C1.CCN(CC)CC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CCN(C(=O)OC(C)(C)C)C4)c(Cl)c3)ccnc2cc1OC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)CC4CCNC4)c(Cl)c3)ccnc2cc1OC.COc1cc2nccc(Oc3ccc(CC(=O)Oc4ccccc4)c(Cl)c3)c2cc1C(N)=O.

What is the InChIKey of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate?

The InChIKey is NXOJAADDERMFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O6.C28H30ClN3O5.C25H26ClN3O4.C25H19ClN2O5.C9H18N2O2.C6H15N.2C4H8O.CH4/c1-30(2,3)40-29(37)34-11-9-18(17-34)12-20(35)13-19-6-7-21(14-24(19)31)39-26-8-10-33-25-16-27(38-5)23(15-22(25)26)28(36)32-4;1-4-27(34)32-10-8-17(16-32)11-19(33)12-18-5-6-20(13-23(18)29)37-25-7-9-31-24-15-26(36-3)22(14-21(24)25)28(35)30-2;1-27-25(31)20-12-19-22(13-24(20)32-2)29-8-6-23(19)33-18-4-3-16(21(26)11-18)10-17(30)9-15-5-7-28-14-15;1-31-23-14-21-18(13-19(23)25(27)30)22(9-10-28-21)32-17-8-7-15(20(26)12-17)11-24(29)33-16-5-3-2-4-6-16;1-9(2,3)13-8(12)11-5-4-7(10)6-11;1-4-7(5-2)6-3;2*1-2-4-5-3-1;/h6-8,10,14-16,18H,9,11-13,17H2,1-5H3,(H,32,36);5-7,9,13-15,17H,4,8,10-12,16H2,1-3H3,(H,30,35);3-4,6,8,11-13,15,28H,5,7,9-10,14H2,1-2H3,(H,27,31);2-10,12-14H,11H2,1H3,(H2,27,30);7H,4-6,10H2,1-3H3;4-6H2,1-3H3;2*1-4H2;1H4.

What are the key properties of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate?

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate has a molecular weight of 2470.63 g/mol, XLogP of 24.24, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[3-[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-2-oxopropyl]pyrrolidine-1-carboxylate;4-[3-chloro-4-[2-oxo-3-(1-propanoylpyrrolidin-3-yl)propyl]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;4-[3-chloro-4-(2-oxo-3-pyrrolidin-3-ylpropyl)phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methane;oxolane;phenyl 2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]acetate is sourced from PubChem (CID 159914190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).