N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C25H23FN2O4 — CID 56563395

About N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56563395) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56563395
• Molecular Formula: C25H23FN2O4
• Molecular Weight: 434.47 g/mol
• Exact Mass: 434.16
• IUPAC Name: N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(COc4cccc(F)c4)c3)c(=O)[nH]c2C1
• InChI: InChI=1S/C25H23FN2O4/c1-25(2)12-21-19(22(29)13-25)11-20(24(31)28-21)23(30)27-17-7-3-5-15(9-17)14-32-18-8-4-6-16(26)10-18/h3-11H,12-14H2,1-2H3,(H,27,30)(H,28,31)
• InChIKey: WOMQKZRZTHJBLE-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 88.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.47
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56563395) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(COc4cccc(F)c4)c3)c(=O)[nH]c2C1.

What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is WOMQKZRZTHJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-25(2)12-21-19(22(29)13-25)11-20(24(31)28-21)23(30)27-17-7-3-5-15(9-17)14-32-18-8-4-6-16(26)10-18/h3-11H,12-14H2,1-2H3,(H,27,30)(H,28,31).

What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56563395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).