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

C25H31N3O3 — CID 56559974

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

7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56559974) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56559974
• Molecular Formula: C25H31N3O3
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.24
• IUPAC Name: 7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)NCc3ccccc3CN3CCCCC3)c(=O)[nH]c2C1
• InChI: InChI=1S/C25H31N3O3/c1-25(2)13-21-19(22(29)14-25)12-20(24(31)27-21)23(30)26-15-17-8-4-5-9-18(17)16-28-10-6-3-7-11-28/h4-5,8-9,12H,3,6-7,10-11,13-16H2,1-2H3,(H,26,30)(H,27,31)
• InChIKey: WASADTJOVKGMIL-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 82.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56559974) is 7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NCc3ccccc3CN3CCCCC3)c(=O)[nH]c2C1.

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

The InChIKey is WASADTJOVKGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-25(2)13-21-19(22(29)14-25)12-20(24(31)27-21)23(30)26-15-17-8-4-5-9-18(17)16-28-10-6-3-7-11-28/h4-5,8-9,12H,3,6-7,10-11,13-16H2,1-2H3,(H,26,30)(H,27,31).

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

7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56559974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).