N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C112H103Cl4F7N14O18 — CID 160903492

About N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 160903492) has the molecular formula C112H103Cl4F7N14O18 and a molecular weight of 2207.93 g/mol. Its IUPAC name is N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 160903492
• Molecular Formula: C112H103Cl4F7N14O18
• Molecular Weight: 2207.93 g/mol
• Exact Mass: 2204.62
• IUPAC Name: N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Oc3ccc(NC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
• InChI: InChI=1S/C29H24ClF4N3O4.C29H25ClF3N3O4.C28H29ClN4O5.C26H25ClN4O5/c1-39-25-13-18-22(14-26(25)40-15-28(35)7-8-28)36-9-6-23(18)41-24-5-3-17(12-21(24)31)37-27(38)11-16-2-4-20(30)19(10-16)29(32,33)34;1-38-25-14-20-23(15-26(25)39-16-28(34)9-10-28)35-11-8-24(20)40-19-5-3-18(4-6-19)36-27(37)13-17-2-7-22(30)21(12-17)29(31,32)33;1-17-11-18(32-38-17)12-27(34)31-22-6-5-19(13-21(22)29)37-24-7-10-30-23-15-26(25(35-4)14-20(23)24)36-16-28(8-9-28)33(2)3;1-15-9-16(31-36-15)10-25(32)30-20-4-3-17(11-19(20)27)35-22-5-8-29-21-13-24(23(33-2)12-18(21)22)34-14-26(28)6-7-26/h2-6,9-10,12-14H,7-8,11,15,35H2,1H3,(H,37,38);2-8,11-12,14-15H,9-10,13,16,34H2,1H3,(H,36,37);5-7,10-11,13-15H,8-9,12,16H2,1-4H3,(H,31,34);3-5,8-9,11-13H,6-7,10,14,28H2,1-2H3,(H,30,32)
• InChIKey: SPUZDJXLQLGTPR-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 412.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.93
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 160903492) is N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cc2c(Oc3ccc(NC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Oc3ccc(NC(=O)Cc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Cc4ccc(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]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is SPUZDJXLQLGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF4N3O4.C29H25ClF3N3O4.C28H29ClN4O5.C26H25ClN4O5/c1-39-25-13-18-22(14-26(25)40-15-28(35)7-8-28)36-9-6-23(18)41-24-5-3-17(12-21(24)31)37-27(38)11-16-2-4-20(30)19(10-16)29(32,33)34;1-38-25-14-20-23(15-26(25)39-16-28(34)9-10-28)35-11-8-24(20)40-19-5-3-18(4-6-19)36-27(37)13-17-2-7-22(30)21(12-17)29(31,32)33;1-17-11-18(32-38-17)12-27(34)31-22-6-5-19(13-21(22)29)37-24-7-10-30-23-15-26(25(35-4)14-20(23)24)36-16-28(8-9-28)33(2)3;1-15-9-16(31-36-15)10-25(32)30-20-4-3-17(11-19(20)27)35-22-5-8-29-21-13-24(23(33-2)12-18(21)22)34-14-26(28)6-7-26/h2-6,9-10,12-14H,7-8,11,15,35H2,1H3,(H,37,38);2-8,11-12,14-15H,9-10,13,16,34H2,1H3,(H,36,37);5-7,10-11,13-15H,8-9,12,16H2,1-4H3,(H,31,34);3-5,8-9,11-13H,6-7,10,14,28H2,1-2H3,(H,30,32).

What are the key properties of N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 2207.93 g/mol, XLogP of 24.33, 37 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 160903492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).