2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

C25H24N6O2 — CID 170389436

About 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 170389436) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 170389436
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: C[C@@H]1C[C@H](n2c(CC(=O)NCc3ccccn3)nc3cnc4ccc(C#N)cc4c32)CCO1
• InChI: InChI=1S/C25H24N6O2/c1-16-10-19(7-9-33-16)31-23(12-24(32)29-14-18-4-2-3-8-27-18)30-22-15-28-21-6-5-17(13-26)11-20(21)25(22)31/h2-6,8,11,15-16,19H,7,9-10,12,14H2,1H3,(H,29,32)/t16-,19-/m1/s1
• InChIKey: ATGQMRFCPSDVRD-VQIMIIECSA-N
• XLogP: 3.45
• TPSA: 105.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 170389436) is 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is C[C@@H]1C[C@H](n2c(CC(=O)NCc3ccccn3)nc3cnc4ccc(C#N)cc4c32)CCO1.

What is the InChIKey of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is ATGQMRFCPSDVRD-VQIMIIECSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-10-19(7-9-33-16)31-23(12-24(32)29-14-18-4-2-3-8-27-18)30-22-15-28-21-6-5-17(13-26)11-20(21)25(22)31/h2-6,8,11,15-16,19H,7,9-10,12,14H2,1H3,(H,29,32)/t16-,19-/m1/s1.

What are the key properties of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 440.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 170389436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).