7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide

C24H28N4O4 — CID 56561600

About 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56561600) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56561600
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2C1
• InChI: InChI=1S/C24H28N4O4/c1-24(2)13-19-17(20(29)14-24)12-18(23(32)26-19)22(31)25-15-21(30)28-10-8-27(9-11-28)16-6-4-3-5-7-16/h3-7,12H,8-11,13-15H2,1-2H3,(H,25,31)(H,26,32)
• InChIKey: FNSUDULWGULGCT-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 102.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56561600) is 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2C1.

What is the InChIKey of 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is FNSUDULWGULGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2)13-19-17(20(29)14-24)12-18(23(32)26-19)22(31)25-15-21(30)28-10-8-27(9-11-28)16-6-4-3-5-7-16/h3-7,12H,8-11,13-15H2,1-2H3,(H,25,31)(H,26,32).

What are the key properties of 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide?

7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2,5-dioxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).