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

C26H27N3O3 — CID 56565069

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

7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565069) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56565069
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: 7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC(Nc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1)c1ccccc1
• InChI: InChI=1S/C26H27N3O3/c1-16(17-7-5-4-6-8-17)27-18-9-11-19(12-10-18)28-24(31)21-13-20-22(29-25(21)32)14-26(2,3)15-23(20)30/h4-13,16,27H,14-15H2,1-3H3,(H,28,31)(H,29,32)
• InChIKey: DGXYEJIPBYHXCW-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 91.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565069) is 7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC(Nc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1)c1ccccc1.

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

The InChIKey is DGXYEJIPBYHXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-16(17-7-5-4-6-8-17)27-18-9-11-19(12-10-18)28-24(31)21-13-20-22(29-25(21)32)14-26(2,3)15-23(20)30/h4-13,16,27H,14-15H2,1-3H3,(H,28,31)(H,29,32).

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

7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-2,5-dioxo-N-[4-(1-phenylethylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).