1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one

C32H30F5N5O3 — CID 66631968

About 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one

1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one (PubChem CID 66631968) has the molecular formula C32H30F5N5O3 and a molecular weight of 627.61 g/mol. Its IUPAC name is 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one
• PubChem CID: 66631968
• Molecular Formula: C32H30F5N5O3
• Molecular Weight: 627.61 g/mol
• Exact Mass: 627.23
• IUPAC Name: 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one
• SMILES: Cc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(OC(F)F)c(F)c1
• InChI: InChI=1S/C32H30F5N5O3/c1-17-29(28-22(35)11-19(33)12-24(28)40-30(17)42-16-32(2,3)14-27(42)43)39-23-13-26(41-6-8-44-9-7-41)38-15-20(23)18-4-5-25(21(34)10-18)45-31(36)37/h4-5,10-13,15,31H,6-9,14,16H2,1-3H3,(H,38,39,40)
• InChIKey: MUWDUXOCOFOPMJ-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.61
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one?

The IUPAC name of 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one (CID 66631968) is 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one.

What is the SMILES notation for 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one?

The canonical SMILES for 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one is Cc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(OC(F)F)c(F)c1.

What is the InChIKey of 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one?

The InChIKey is MUWDUXOCOFOPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F5N5O3/c1-17-29(28-22(35)11-19(33)12-24(28)40-30(17)42-16-32(2,3)14-27(42)43)39-23-13-26(41-6-8-44-9-7-41)38-15-20(23)18-4-5-25(21(34)10-18)45-31(36)37/h4-5,10-13,15,31H,6-9,14,16H2,1-3H3,(H,38,39,40).

What are the key properties of 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one?

1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one has a molecular weight of 627.61 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-[4-(difluoromethoxy)-3-fluorophenyl]-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66631968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).