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

C81H74ClF6N11O15 — CID 160688997

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

N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide (PubChem CID 160688997) has the molecular formula C81H74ClF6N11O15 and a molecular weight of 1590.99 g/mol. Its IUPAC name is N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide.

Molecular Properties

• Compound Name: N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide
• PubChem CID: 160688997
• Molecular Formula: C81H74ClF6N11O15
• Molecular Weight: 1590.99 g/mol
• Exact Mass: 1589.50
• IUPAC Name: N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide
• SMILES: CCC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Oc3ccc(NC(=O)C(=O)Cc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)C(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
• InChI: InChI=1S/C30H24ClF4N3O5.C27H25FN4O6.C24H25FN4O4/c1-41-26-13-18-22(14-27(26)42-15-29(36)7-8-29)37-9-6-24(18)43-25-5-3-17(12-21(25)32)38-28(40)23(39)11-16-2-4-20(31)19(10-16)30(33,34)35;1-15-9-17(32-38-15)11-21(33)26(34)31-16-3-4-23(19(28)10-16)37-22-5-8-30-20-13-25(24(35-2)12-18(20)22)36-14-27(29)6-7-27;1-3-20(30)23(31)28-14-4-5-18(16(25)10-14)29-17-6-9-27-19-12-22(21(32-2)11-15(17)19)33-13-24(26)7-8-24/h2-6,9-10,12-14H,7-8,11,15,36H2,1H3,(H,38,40);3-5,8-10,12-13H,6-7,11,14,29H2,1-2H3,(H,31,34);4-6,9-12H,3,7-8,13,26H2,1-2H3,(H,27,29)(H,28,31)
• InChIKey: RPDXZNXIHNLXPO-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 367.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1590.99
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	7
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]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide?

The IUPAC name of N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide (CID 160688997) is N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide.

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

The canonical SMILES for N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide is CCC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Oc3ccc(NC(=O)C(=O)Cc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc(NC(=O)C(=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]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide?

The InChIKey is RPDXZNXIHNLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF4N3O5.C27H25FN4O6.C24H25FN4O4/c1-41-26-13-18-22(14-27(26)42-15-29(36)7-8-29)37-9-6-24(18)43-25-5-3-17(12-21(25)32)38-28(40)23(39)11-16-2-4-20(31)19(10-16)30(33,34)35;1-15-9-17(32-38-15)11-21(33)26(34)31-16-3-4-23(19(28)10-16)37-22-5-8-30-20-13-25(24(35-2)12-18(20)22)36-14-27(29)6-7-27;1-3-20(30)23(31)28-14-4-5-18(16(25)10-14)29-17-6-9-27-19-12-22(21(32-2)11-15(17)19)33-13-24(26)7-8-24/h2-6,9-10,12-14H,7-8,11,15,36H2,1H3,(H,38,40);3-5,8-10,12-13H,6-7,11,14,29H2,1-2H3,(H,31,34);4-6,9-12H,3,7-8,13,26H2,1-2H3,(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]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide?

N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide has a molecular weight of 1590.99 g/mol, XLogP of 14.47, 29 rotatable bonds, 7 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]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide is sourced from PubChem (CID 160688997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).