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

C26H25FN6O5 — CID 25031824

About 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'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 25031824) has the molecular formula C26H25FN6O5 and a molecular weight of 520.52 g/mol. Its IUPAC name is 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'-(5-methyl-1,2-oxazol-3-yl)oxamide
• PubChem CID: 25031824
• Molecular Formula: C26H25FN6O5
• Molecular Weight: 520.52 g/mol
• Exact Mass: 520.19
• IUPAC Name: N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
• SMILES: COc1cc2c(Nc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1
• InChI: InChI=1S/C26H25FN6O5/c1-14-9-23(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/h3-5,8-12H,6-7,13,28H2,1-2H3,(H,29,31)(H,30,34)(H,32,33,35)
• InChIKey: VWBRFIHGDPTMMT-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 153.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.52
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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'-(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'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 25031824) is 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'-(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'-(5-methyl-1,2-oxazol-3-yl)oxamide is COc1cc2c(Nc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.

What is the InChIKey of 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 VWBRFIHGDPTMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O5/c1-14-9-23(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/h3-5,8-12H,6-7,13,28H2,1-2H3,(H,29,31)(H,30,34)(H,32,33,35).

What are the key properties of 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'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 520.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 4 hydrogen bond donors, and 9 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'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 25031824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).