methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate

C29H30N2O6 — CID 68921236

About methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate

methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate (PubChem CID 68921236) has the molecular formula C29H30N2O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate.

Molecular Properties

• Compound Name: methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
• PubChem CID: 68921236
• Molecular Formula: C29H30N2O6
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.21
• IUPAC Name: methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
• SMILES: COC(=O)COc1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccc(OC)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C29H30N2O6/c1-19-17-27(31(20(2)32)22-11-15-24(16-12-22)37-18-28(33)36-4)25-7-5-6-8-26(25)30(19)29(34)21-9-13-23(35-3)14-10-21/h5-16,19,27H,17-18H2,1-4H3
• InChIKey: ZABFEDUKLFLVEH-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate?

The IUPAC name of methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate (CID 68921236) is methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate.

What is the SMILES notation for methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate?

The canonical SMILES for methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate is COC(=O)COc1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccc(OC)cc3)c3ccccc32)cc1.

What is the InChIKey of methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate?

The InChIKey is ZABFEDUKLFLVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O6/c1-19-17-27(31(20(2)32)22-11-15-24(16-12-22)37-18-28(33)36-4)25-7-5-6-8-26(25)30(19)29(34)21-9-13-23(35-3)14-10-21/h5-16,19,27H,17-18H2,1-4H3.

What are the key properties of methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate?

methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate has a molecular weight of 502.57 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate is sourced from PubChem (CID 68921236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).