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

C23H28N4O4 — CID 56567683

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

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56567683) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56567683
• Molecular Formula: C23H28N4O4
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.21
• IUPAC Name: N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1CN(c2ccc(NC(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)cn2)CC(C)O1
• InChI: InChI=1S/C23H28N4O4/c1-13-11-27(12-14(2)31-13)20-6-5-15(10-24-20)25-21(29)17-7-16-18(26-22(17)30)8-23(3,4)9-19(16)28/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,25,29)(H,26,30)
• InChIKey: RXMISWWZBNJYPE-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 104.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56567683) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1CN(c2ccc(NC(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)cn2)CC(C)O1.

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

The InChIKey is RXMISWWZBNJYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-13-11-27(12-14(2)31-13)20-6-5-15(10-24-20)25-21(29)17-7-16-18(26-22(17)30)8-23(3,4)9-19(16)28/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,25,29)(H,26,30).

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

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56567683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).