7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide

C24H22N4O4 — CID 56563167

About 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56563167) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56563167
• Molecular Formula: C24H22N4O4
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.16
• IUPAC Name: 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c(=O)[nH]c2C1
• InChI: InChI=1S/C24H22N4O4/c1-24(2)12-19-17(20(29)13-24)11-18(23(32)28-19)22(31)27-16-5-3-4-15(10-16)26-21(30)14-6-8-25-9-7-14/h3-11H,12-13H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)
• InChIKey: FVAIRSJAASIPRQ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 121.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56563167) is 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)c(=O)[nH]c2C1.

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

The InChIKey is FVAIRSJAASIPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-24(2)12-19-17(20(29)13-24)11-18(23(32)28-19)22(31)27-16-5-3-4-15(10-16)26-21(30)14-6-8-25-9-7-14/h3-11H,12-13H2,1-2H3,(H,26,30)(H,27,31)(H,28,32).

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

7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56563167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).