N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C26H26N2O5 — CID 42935983

About N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 42935983) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• PubChem CID: 42935983
• Molecular Formula: C26H26N2O5
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.18
• IUPAC Name: N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• SMILES: COc1ccc(Oc2cc(NC(=O)CCC3Cc4ccccc4NC3=O)ccc2OC)cc1
• InChI: InChI=1S/C26H26N2O5/c1-31-20-9-11-21(12-10-20)33-24-16-19(8-13-23(24)32-2)27-25(29)14-7-18-15-17-5-3-4-6-22(17)28-26(18)30/h3-6,8-13,16,18H,7,14-15H2,1-2H3,(H,27,29)(H,28,30)
• InChIKey: JJHVEYHTQGAFMG-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The IUPAC name of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 42935983) is N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

What is the SMILES notation for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The canonical SMILES for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is COc1ccc(Oc2cc(NC(=O)CCC3Cc4ccccc4NC3=O)ccc2OC)cc1.

What is the InChIKey of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The InChIKey is JJHVEYHTQGAFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-20-9-11-21(12-10-20)33-24-16-19(8-13-23(24)32-2)27-25(29)14-7-18-15-17-5-3-4-6-22(17)28-26(18)30/h3-6,8-13,16,18H,7,14-15H2,1-2H3,(H,27,29)(H,28,30).

What are the key properties of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 446.50 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 42935983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).