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

C31H31F2N5O2 — CID 67284589

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

1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (PubChem CID 67284589) has the molecular formula C31H31F2N5O2 and a molecular weight of 543.62 g/mol. Its IUPAC name is 1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)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-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• PubChem CID: 67284589
• Molecular Formula: C31H31F2N5O2
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.24
• IUPAC Name: 1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• SMILES: Cc1ccnc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1
• InChI: InChI=1S/C31H31F2N5O2/c1-19-3-6-34-25(13-19)28-20(2)29(27-23(33)14-21(32)15-24(27)36-28)38-18-31(4-9-39-10-5-31)30-26(38)16-22(17-35-30)37-7-11-40-12-8-37/h3,6,13-17H,4-5,7-12,18H2,1-2H3
• InChIKey: WDRXLWNUASAKFQ-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)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-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (CID 67284589) is 1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)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-(4-methyl-2-pyridinyl)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-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is Cc1ccnc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1.

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

The InChIKey is WDRXLWNUASAKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N5O2/c1-19-3-6-34-25(13-19)28-20(2)29(27-23(33)14-21(32)15-24(27)36-28)38-18-31(4-9-39-10-5-31)30-26(38)16-22(17-35-30)37-7-11-40-12-8-37/h3,6,13-17H,4-5,7-12,18H2,1-2H3.

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

1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] has a molecular weight of 543.62 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is sourced from PubChem (CID 67284589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).