N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide

C32H34ClN3O2 — CID 24956597

About N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide

N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide (PubChem CID 24956597) has the molecular formula C32H34ClN3O2 and a molecular weight of 528.10 g/mol. Its IUPAC name is N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide
• PubChem CID: 24956597
• Molecular Formula: C32H34ClN3O2
• Molecular Weight: 528.10 g/mol
• Exact Mass: 527.23
• IUPAC Name: N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)c1
• InChI: InChI=1S/C32H34ClN3O2/c1-20-13-21(2)15-24(14-20)29-19-35-31-18-30(33)27(23-7-6-9-26(16-23)36-22(3)37)17-28(31)32(29)38-12-10-25-8-4-5-11-34-25/h6-7,9,13-19,25,34H,4-5,8,10-12H2,1-3H3,(H,36,37)
• InChIKey: HFVCJWBBNSGTAJ-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.10
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide?

The IUPAC name of N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide (CID 24956597) is N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc3c(OCCC4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)c1.

What is the InChIKey of N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide?

The InChIKey is HFVCJWBBNSGTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN3O2/c1-20-13-21(2)15-24(14-20)29-19-35-31-18-30(33)27(23-7-6-9-26(16-23)36-22(3)37)17-28(31)32(29)38-12-10-25-8-4-5-11-34-25/h6-7,9,13-19,25,34H,4-5,8,10-12H2,1-3H3,(H,36,37).

What are the key properties of N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide?

N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide has a molecular weight of 528.10 g/mol, XLogP of 7.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide is sourced from PubChem (CID 24956597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).