N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C78H71ClF6N14O15 — CID 158138957

About N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 158138957) has the molecular formula C78H71ClF6N14O15 and a molecular weight of 1593.95 g/mol. Its IUPAC name is N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

• Compound Name: N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
• PubChem CID: 158138957
• Molecular Formula: C78H71ClF6N14O15
• Molecular Weight: 1593.95 g/mol
• Exact Mass: 1592.48
• IUPAC Name: N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
• SMILES: CNC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Oc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
• InChI: InChI=1S/C29H23ClF4N4O5.C26H24FN5O6.C23H24FN5O4/c1-41-24-12-17-21(13-25(24)42-14-28(35)7-8-28)36-9-6-22(17)43-23-5-3-16(11-20(23)31)38-27(40)26(39)37-15-2-4-19(30)18(10-15)29(32,33)34;1-14-9-23(32-38-14)31-25(34)24(33)30-15-3-4-20(17(27)10-15)37-19-5-8-29-18-12-22(21(35-2)11-16(18)19)36-13-26(28)6-7-26;1-26-21(30)22(31)28-13-3-4-17(15(24)9-13)29-16-5-8-27-18-11-20(19(32-2)10-14(16)18)33-12-23(25)6-7-23/h2-6,9-13H,7-8,14,35H2,1H3,(H,37,39)(H,38,40);3-5,8-12H,6-7,13,28H2,1-2H3,(H,30,33)(H,31,32,34);3-5,8-11H,6-7,12,25H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)
• InChIKey: FTRYCHHLSUMOTE-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 403.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1593.95
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

The IUPAC name of N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 158138957) is N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

What is the SMILES notation for N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

The canonical SMILES for N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is CNC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Oc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1.

What is the InChIKey of N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

The InChIKey is FTRYCHHLSUMOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF4N4O5.C26H24FN5O6.C23H24FN5O4/c1-41-24-12-17-21(13-25(24)42-14-28(35)7-8-28)36-9-6-22(17)43-23-5-3-16(11-20(23)31)38-27(40)26(39)37-15-2-4-19(30)18(10-15)29(32,33)34;1-14-9-23(32-38-14)31-25(34)24(33)30-15-3-4-20(17(27)10-15)37-19-5-8-29-18-12-22(21(35-2)11-16(18)19)36-13-26(28)6-7-26;1-26-21(30)22(31)28-13-3-4-17(15(24)9-13)29-16-5-8-27-18-11-20(19(32-2)10-14(16)18)33-12-23(25)6-7-23/h2-6,9-13H,7-8,14,35H2,1H3,(H,37,39)(H,38,40);3-5,8-12H,6-7,13,28H2,1-2H3,(H,30,33)(H,31,32,34);3-5,8-11H,6-7,12,25H2,1-2H3,(H,26,30)(H,27,29)(H,28,31).

What are the key properties of N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 1593.95 g/mol, XLogP of 12.89, 23 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 158138957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).