N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide

C30H28N2O4 — CID 70250449

About N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide

N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide (PubChem CID 70250449) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide
• PubChem CID: 70250449
• Molecular Formula: C30H28N2O4
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.20
• IUPAC Name: N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C2OC(C)(C)C(=O)C2c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
• InChI: InChI=1S/C30H28N2O4/c1-19(33)31-23-13-9-22(10-14-23)28-27(29(34)30(2,3)36-28)21-11-16-25(17-12-21)35-18-24-15-8-20-6-4-5-7-26(20)32-24/h4-17,27-28H,18H2,1-3H3,(H,31,33)
• InChIKey: GQTCHBXNWNKDGJ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide?

The IUPAC name of N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide (CID 70250449) is N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2OC(C)(C)C(=O)C2c2ccc(OCc3ccc4ccccc4n3)cc2)cc1.

What is the InChIKey of N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide?

The InChIKey is GQTCHBXNWNKDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-19(33)31-23-13-9-22(10-14-23)28-27(29(34)30(2,3)36-28)21-11-16-25(17-12-21)35-18-24-15-8-20-6-4-5-7-26(20)32-24/h4-17,27-28H,18H2,1-3H3,(H,31,33).

What are the key properties of N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide?

N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide has a molecular weight of 480.56 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5,5-dimethyl-4-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-yl]phenyl]acetamide is sourced from PubChem (CID 70250449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).