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

C30H29F2N5O2 — CID 50939347

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

1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (PubChem CID 50939347) has the molecular formula C30H29F2N5O2 and a molecular weight of 529.59 g/mol. Its IUPAC name is 1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-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-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• PubChem CID: 50939347
• Molecular Formula: C30H29F2N5O2
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.23
• IUPAC Name: 1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21
• InChI: InChI=1S/C30H29F2N5O2/c1-19-27(23-4-2-3-7-33-23)35-24-15-20(31)14-22(32)26(24)28(19)37-18-30(5-10-38-11-6-30)29-25(37)16-21(17-34-29)36-8-12-39-13-9-36/h2-4,7,14-17H,5-6,8-13,18H2,1H3
• InChIKey: HOYRDMOZYCKGPU-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	5.31
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-pyridin-2-ylquinolin-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-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (CID 50939347) is 1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-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-pyridin-2-ylquinolin-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-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21.

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

The InChIKey is HOYRDMOZYCKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N5O2/c1-19-27(23-4-2-3-7-33-23)35-24-15-20(31)14-22(32)26(24)28(19)37-18-30(5-10-38-11-6-30)29-25(37)16-21(17-34-29)36-8-12-39-13-9-36/h2-4,7,14-17H,5-6,8-13,18H2,1H3.

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

1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] has a molecular weight of 529.59 g/mol, XLogP of 5.31, 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-pyridin-2-ylquinolin-4-yl)-6-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is sourced from PubChem (CID 50939347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).