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

C78H73ClF6N16O13 — CID 161196734

About N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 161196734) has the molecular formula C78H73ClF6N16O13 and a molecular weight of 1591.98 g/mol. Its IUPAC name is N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
• PubChem CID: 161196734
• Molecular Formula: C78H73ClF6N16O13
• Molecular Weight: 1591.98 g/mol
• Exact Mass: 1590.51
• IUPAC Name: N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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(Nc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
• InChI: InChI=1S/C29H24ClF4N5O4.C26H25FN6O5.C23H24FN5O4/c1-42-24-12-17-21(6-9-36-23(17)13-25(24)43-14-28(35)7-8-28)39-22-5-3-16(11-20(22)31)38-27(41)26(40)37-15-2-4-19(30)18(10-15)29(32,33)34;1-14-9-23(33-38-14)32-25(35)24(34)30-15-3-4-19(17(27)10-15)31-18-5-8-29-20-12-22(21(36-2)11-16(18)20)37-13-26(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,36,39)(H,37,40)(H,38,41);3-5,8-12H,6-7,13,28H2,1-2H3,(H,29,31)(H,30,34)(H,32,33,35);3-5,8-11H,6-7,12,25H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)
• InChIKey: UULFRHOAILPFAD-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 408.83 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1591.98
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	12
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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 161196734) is N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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(Nc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?

The InChIKey is UULFRHOAILPFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF4N5O4.C26H25FN6O5.C23H24FN5O4/c1-42-24-12-17-21(6-9-36-23(17)13-25(24)43-14-28(35)7-8-28)39-22-5-3-16(11-20(22)31)38-27(41)26(40)37-15-2-4-19(30)18(10-15)29(32,33)34;1-14-9-23(33-38-14)32-25(35)24(34)30-15-3-4-19(17(27)10-15)31-18-5-8-29-20-12-22(21(36-2)11-16(18)20)37-13-26(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,36,39)(H,37,40)(H,38,41);3-5,8-12H,6-7,13,28H2,1-2H3,(H,29,31)(H,30,34)(H,32,33,35);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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 1591.98 g/mol, XLogP of 12.80, 23 rotatable bonds, 12 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-[4-chloro-3-(trifluoromethyl)phenyl]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]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 161196734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).