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

C108H99Cl4F7N18O18 — CID 159796270

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

1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 159796270) has the molecular formula C108H99Cl4F7N18O18 and a molecular weight of 2211.89 g/mol. Its IUPAC name is 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

• Compound Name: 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
• PubChem CID: 159796270
• Molecular Formula: C108H99Cl4F7N18O18
• Molecular Weight: 2211.89 g/mol
• Exact Mass: 2208.60
• IUPAC Name: 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
• SMILES: COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
• InChI: InChI=1S/C28H23ClF4N4O4.C28H24ClF3N4O4.C27H28ClN5O5.C25H24ClN5O5/c1-39-24-12-17-21(13-25(24)40-14-27(34)7-8-27)35-9-6-22(17)41-23-5-3-16(11-20(23)30)37-26(38)36-15-2-4-19(29)18(10-15)28(31,32)33;1-38-24-13-19-22(14-25(24)39-15-27(33)9-10-27)34-11-8-23(19)40-18-5-2-16(3-6-18)35-26(37)36-17-4-7-21(29)20(12-17)28(30,31)32;1-16-11-25(32-38-16)31-26(34)30-20-6-5-17(12-19(20)28)37-22-7-10-29-21-14-24(23(35-4)13-18(21)22)36-15-27(8-9-27)33(2)3;1-14-9-23(31-36-14)30-24(32)29-18-4-3-15(10-17(18)26)35-20-5-8-28-19-12-22(21(33-2)11-16(19)20)34-13-25(27)6-7-25/h2-6,9-13H,7-8,14,34H2,1H3,(H2,36,37,38);2-8,11-14H,9-10,15,33H2,1H3,(H2,35,36,37);5-7,10-14H,8-9,15H2,1-4H3,(H2,30,31,32,34);3-5,8-12H,6-7,13,27H2,1-2H3,(H2,29,30,31,32)
• InChIKey: NJFFJTNSOXUIOF-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 460.20 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2211.89
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 159796270) is 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

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

The canonical SMILES for 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1.

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

The InChIKey is NJFFJTNSOXUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF4N4O4.C28H24ClF3N4O4.C27H28ClN5O5.C25H24ClN5O5/c1-39-24-12-17-21(13-25(24)40-14-27(34)7-8-27)35-9-6-22(17)41-23-5-3-16(11-20(23)30)37-26(38)36-15-2-4-19(29)18(10-15)28(31,32)33;1-38-24-13-19-22(14-25(24)39-15-27(33)9-10-27)34-11-8-23(19)40-18-5-2-16(3-6-18)35-26(37)36-17-4-7-21(29)20(12-17)28(30,31)32;1-16-11-25(32-38-16)31-26(34)30-20-6-5-17(12-19(20)28)37-22-7-10-29-21-14-24(23(35-4)13-18(21)22)36-15-27(8-9-27)33(2)3;1-14-9-23(31-36-14)30-24(32)29-18-4-3-15(10-17(18)26)35-20-5-8-28-19-12-22(21(33-2)11-16(19)20)34-13-25(27)6-7-25/h2-6,9-13H,7-8,14,34H2,1H3,(H2,36,37,38);2-8,11-14H,9-10,15,33H2,1H3,(H2,35,36,37);5-7,10-14H,8-9,15H2,1-4H3,(H2,30,31,32,34);3-5,8-12H,6-7,13,27H2,1-2H3,(H2,29,30,31,32).

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

1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 2211.89 g/mol, XLogP of 26.19, 33 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 159796270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).