N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C26H23FN2O4 — CID 1459110

About N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1459110) has the molecular formula C26H23FN2O4 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 1459110
• Molecular Formula: C26H23FN2O4
• Molecular Weight: 446.48 g/mol
• Exact Mass: 446.16
• IUPAC Name: N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: COc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1
• InChI: InChI=1S/C26H23FN2O4/c1-32-22-9-5-18(6-10-22)26(31)29(15-17-3-7-21(27)8-4-17)16-20-13-19-14-23(33-2)11-12-24(19)28-25(20)30/h3-14H,15-16H2,1-2H3,(H,28,30)
• InChIKey: HOKIYLLLKHVTDB-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 71.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.48
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1459110) is N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(F)cc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The InChIKey is HOKIYLLLKHVTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4/c1-32-22-9-5-18(6-10-22)26(31)29(15-17-3-7-21(27)8-4-17)16-20-13-19-14-23(33-2)11-12-24(19)28-25(20)30/h3-14H,15-16H2,1-2H3,(H,28,30).

What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 446.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1459110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).