7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile

C32H32ClN5O2 — CID 177021342

About 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile

7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile (PubChem CID 177021342) has the molecular formula C32H32ClN5O2 and a molecular weight of 554.09 g/mol. Its IUPAC name is 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile
• PubChem CID: 177021342
• Molecular Formula: C32H32ClN5O2
• Molecular Weight: 554.09 g/mol
• Exact Mass: 553.22
• IUPAC Name: 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile
• SMILES: Cc1cccnc1COc1ccc(Nc2c(C#N)cnc3cc(OCC4CC5(CCNCC5)C4)ccc23)c(Cl)c1
• InChI: InChI=1S/C32H32ClN5O2/c1-21-3-2-10-36-30(21)20-40-24-5-7-28(27(33)13-24)38-31-23(17-34)18-37-29-14-25(4-6-26(29)31)39-19-22-15-32(16-22)8-11-35-12-9-32/h2-7,10,13-14,18,22,35H,8-9,11-12,15-16,19-20H2,1H3,(H,37,38)
• InChIKey: YFSAZUFXQLVXEW-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 92.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.09
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile (CID 177021342) is 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile.

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

The canonical SMILES for 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile is Cc1cccnc1COc1ccc(Nc2c(C#N)cnc3cc(OCC4CC5(CCNCC5)C4)ccc23)c(Cl)c1.

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

The InChIKey is YFSAZUFXQLVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN5O2/c1-21-3-2-10-36-30(21)20-40-24-5-7-28(27(33)13-24)38-31-23(17-34)18-37-29-14-25(4-6-26(29)31)39-19-22-15-32(16-22)8-11-35-12-9-32/h2-7,10,13-14,18,22,35H,8-9,11-12,15-16,19-20H2,1H3,(H,37,38).

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

7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile has a molecular weight of 554.09 g/mol, XLogP of 6.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(3-methyl-2-pyridinyl)methoxy]anilino]quinoline-3-carbonitrile is sourced from PubChem (CID 177021342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).