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

C31H31F2N5O3 — CID 67285595

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

1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (PubChem CID 67285595) has the molecular formula C31H31F2N5O3 and a molecular weight of 559.62 g/mol. Its IUPAC name is 1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].

Molecular Properties

• Compound Name: 1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• PubChem CID: 67285595
• Molecular Formula: C31H31F2N5O3
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.24
• IUPAC Name: 1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• SMILES: COc1cc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)ccn1
• InChI: InChI=1S/C31H31F2N5O3/c1-19-28(20-3-6-34-26(13-20)39-2)36-24-15-21(32)14-23(33)27(24)29(19)38-18-31(4-9-40-10-5-31)30-25(38)16-22(17-35-30)37-7-11-41-12-8-37/h3,6,13-17H,4-5,7-12,18H2,1-2H3
• InChIKey: ZGLJFGHARPUBIA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 72.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.62
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-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?

The IUPAC name of 1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (CID 67285595) is 1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-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-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?

The canonical SMILES for 1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is COc1cc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)ccn1.

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

The InChIKey is ZGLJFGHARPUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N5O3/c1-19-28(20-3-6-34-26(13-20)39-2)36-24-15-21(32)14-23(33)27(24)29(19)38-18-31(4-9-40-10-5-31)30-25(38)16-22(17-35-30)37-7-11-41-12-8-37/h3,6,13-17H,4-5,7-12,18H2,1-2H3.

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

1-[5,7-difluoro-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] has a molecular weight of 559.62 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-2-(2-methoxy-4-pyridinyl)-3-methylquinolin-4-yl]-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is sourced from PubChem (CID 67285595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).