7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline

C30H32ClN3O2 — CID 52936723

About 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline

7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline (PubChem CID 52936723) has the molecular formula C30H32ClN3O2 and a molecular weight of 502.06 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline.

Molecular Properties

• Compound Name: 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline
• PubChem CID: 52936723
• Molecular Formula: C30H32ClN3O2
• Molecular Weight: 502.06 g/mol
• Exact Mass: 501.22
• IUPAC Name: 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline
• SMILES: COc1ccc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)cn1
• InChI: InChI=1S/C30H32ClN3O2/c1-19-12-20(2)14-22(13-19)26-18-33-28-16-27(31)24(21-7-8-29(35-3)34-17-21)15-25(28)30(26)36-11-9-23-6-4-5-10-32-23/h7-8,12-18,23,32H,4-6,9-11H2,1-3H3/t23-/m1/s1
• InChIKey: DJYFUVCIZAKTJT-HSZRJFAPSA-N
• XLogP: 7.15
• TPSA: 56.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.06
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline?

The IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline (CID 52936723) is 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline.

What is the SMILES notation for 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline?

The canonical SMILES for 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline is COc1ccc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)cn1.

What is the InChIKey of 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline?

The InChIKey is DJYFUVCIZAKTJT-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H32ClN3O2/c1-19-12-20(2)14-22(13-19)26-18-33-28-16-27(31)24(21-7-8-29(35-3)34-17-21)15-25(28)30(26)36-11-9-23-6-4-5-10-32-23/h7-8,12-18,23,32H,4-6,9-11H2,1-3H3/t23-/m1/s1.

What are the key properties of 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline?

7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline has a molecular weight of 502.06 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-(3,5-dimethylphenyl)-6-(6-methoxy-3-pyridinyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline is sourced from PubChem (CID 52936723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).