N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide

C27H25FN2O3 — CID 1453837

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 1453837) has the molecular formula C27H25FN2O3 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
• PubChem CID: 1453837
• Molecular Formula: C27H25FN2O3
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.18
• IUPAC Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
• SMILES: COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C27H25FN2O3/c1-17-12-18(2)25-21(13-17)14-22(26(31)29-25)16-30(15-19-4-10-24(33-3)11-5-19)27(32)20-6-8-23(28)9-7-20/h4-14H,15-16H2,1-3H3,(H,29,31)
• InChIKey: DHCUPLSYKCFTEG-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?

The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide (CID 1453837) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide.

What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?

The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)c2ccc(F)cc2)cc1.

What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?

The InChIKey is DHCUPLSYKCFTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3/c1-17-12-18(2)25-21(13-17)14-22(26(31)29-25)16-30(15-19-4-10-24(33-3)11-5-19)27(32)20-6-8-23(28)9-7-20/h4-14H,15-16H2,1-3H3,(H,29,31).

What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 1453837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).