7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile

C32H32ClN5O3 — CID 177021103

About 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile

7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile (PubChem CID 177021103) has the molecular formula C32H32ClN5O3 and a molecular weight of 570.09 g/mol. Its IUPAC name is 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile
• PubChem CID: 177021103
• Molecular Formula: C32H32ClN5O3
• Molecular Weight: 570.09 g/mol
• Exact Mass: 569.22
• IUPAC Name: 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile
• SMILES: COc1cc2c(Nc3ccc(OCc4ncccc4C)cc3Cl)c(C#N)cnc2cc1OC1CC2(CCNCC2)C1
• InChI: InChI=1S/C32H32ClN5O3/c1-20-4-3-9-36-28(20)19-40-22-5-6-26(25(33)12-22)38-31-21(17-34)18-37-27-14-30(29(39-2)13-24(27)31)41-23-15-32(16-23)7-10-35-11-8-32/h3-6,9,12-14,18,23,35H,7-8,10-11,15-16,19H2,1-2H3,(H,37,38)
• InChIKey: PTGOBGPYEIOSKX-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 101.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.09
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile?

The IUPAC name of 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile (CID 177021103) is 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile.

What is the SMILES notation for 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile?

The canonical SMILES for 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile is COc1cc2c(Nc3ccc(OCc4ncccc4C)cc3Cl)c(C#N)cnc2cc1OC1CC2(CCNCC2)C1.

What is the InChIKey of 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile?

The InChIKey is PTGOBGPYEIOSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN5O3/c1-20-4-3-9-36-28(20)19-40-22-5-6-26(25(33)12-22)38-31-21(17-34)18-37-27-14-30(29(39-2)13-24(27)31)41-23-15-32(16-23)7-10-35-11-8-32/h3-6,9,12-14,18,23,35H,7-8,10-11,15-16,19H2,1-2H3,(H,37,38).

What are the key properties of 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile?

7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile has a molecular weight of 570.09 g/mol, XLogP of 6.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(7-azaspiro[3.5]nonan-2-yloxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 177021103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).