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

C26H27N3O4 — CID 56567362

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

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56567362) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56567362
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)cn2)c1
• InChI: InChI=1S/C26H27N3O4/c1-15-5-6-16(2)22(9-15)33-23-8-7-17(13-27-23)14-28-24(31)19-10-18-20(29-25(19)32)11-26(3,4)12-21(18)30/h5-10,13H,11-12,14H2,1-4H3,(H,28,31)(H,29,32)
• InChIKey: JRLKCBLYYCKMDK-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 101.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56567362) is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)cn2)c1.

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

The InChIKey is JRLKCBLYYCKMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-15-5-6-16(2)22(9-15)33-23-8-7-17(13-27-23)14-28-24(31)19-10-18-20(29-25(19)32)11-26(3,4)12-21(18)30/h5-10,13H,11-12,14H2,1-4H3,(H,28,31)(H,29,32).

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

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56567362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).