N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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

C81H76ClF6N13O13 — CID 159614153

About N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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 (PubChem CID 159614153) has the molecular formula C81H76ClF6N13O13 and a molecular weight of 1589.02 g/mol. Its IUPAC name is N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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.

Molecular Properties

• Compound Name: N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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
• PubChem CID: 159614153
• Molecular Formula: C81H76ClF6N13O13
• Molecular Weight: 1589.02 g/mol
• Exact Mass: 1587.53
• IUPAC Name: N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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
• SMILES: CCC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
• InChI: InChI=1S/C30H25ClF4N4O4.C27H26FN5O5.C24H25FN4O4/c1-42-26-13-18-22(6-9-37-24(18)14-27(26)43-15-29(36)7-8-29)39-23-5-3-17(12-21(23)32)38-28(41)25(40)11-16-2-4-20(31)19(10-16)30(33,34)35;1-15-9-17(33-38-15)11-23(34)26(35)31-16-3-4-21(19(28)10-16)32-20-5-8-30-22-13-25(24(36-2)12-18(20)22)37-14-27(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,37,39)(H,38,41);3-5,8-10,12-13H,6-7,11,14,29H2,1-2H3,(H,30,32)(H,31,35);4-6,9-12H,3,7-8,13,26H2,1-2H3,(H,27,29)(H,28,31)
• InChIKey: MNBMWVZPRRJOEH-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 372.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1589.02
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	9
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]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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?

The IUPAC name of N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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 (CID 159614153) is N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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.

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

The canonical SMILES for N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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 is CCC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(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]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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?

The InChIKey is MNBMWVZPRRJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClF4N4O4.C27H26FN5O5.C24H25FN4O4/c1-42-26-13-18-22(6-9-37-24(18)14-27(26)43-15-29(36)7-8-29)39-23-5-3-17(12-21(23)32)38-28(41)25(40)11-16-2-4-20(31)19(10-16)30(33,34)35;1-15-9-17(33-38-15)11-23(34)26(35)31-16-3-4-21(19(28)10-16)32-20-5-8-30-22-13-25(24(36-2)12-18(20)22)37-14-27(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,37,39)(H,38,41);3-5,8-10,12-13H,6-7,11,14,29H2,1-2H3,(H,30,32)(H,31,35);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]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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 has a molecular weight of 1589.02 g/mol, XLogP of 14.38, 29 rotatable bonds, 9 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]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-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 is sourced from PubChem (CID 159614153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).