1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]

C32H32F2N4O4S — CID 67284693

About 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]

1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (PubChem CID 67284693) has the molecular formula C32H32F2N4O4S and a molecular weight of 606.70 g/mol. Its IUPAC name is 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].

Molecular Properties

• Compound Name: 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• PubChem CID: 67284693
• Molecular Formula: C32H32F2N4O4S
• Molecular Weight: 606.70 g/mol
• Exact Mass: 606.21
• IUPAC Name: 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• SMILES: Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21
• InChI: InChI=1S/C32H32F2N4O4S/c1-20-29(23-5-3-4-6-27(23)43(2,39)40)36-25-16-21(33)15-24(34)28(25)30(20)38-19-32(7-11-41-12-8-32)31-26(38)17-22(18-35-31)37-9-13-42-14-10-37/h3-6,15-18H,7-14,19H2,1-2H3
• InChIKey: XEZPLUWDRWLWCY-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 84.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.70
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?

The IUPAC name of 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (CID 67284693) is 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].

What is the SMILES notation for 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?

The canonical SMILES for 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21.

What is the InChIKey of 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?

The InChIKey is XEZPLUWDRWLWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N4O4S/c1-20-29(23-5-3-4-6-27(23)43(2,39)40)36-25-16-21(33)15-24(34)28(25)30(20)38-19-32(7-11-41-12-8-32)31-26(38)17-22(18-35-31)37-9-13-42-14-10-37/h3-6,15-18H,7-14,19H2,1-2H3.

What are the key properties of 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?

1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] has a molecular weight of 606.70 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is sourced from PubChem (CID 67284693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).