(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

C24H24N2O4 — CID 1267005

About (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione

(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 1267005) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

• Compound Name: (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
• PubChem CID: 1267005
• Molecular Formula: C24H24N2O4
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.17
• IUPAC Name: (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
• SMILES: Cc1ccc(N2C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1
• InChI: InChI=1S/C24H24N2O4/c1-15-7-9-17(10-8-15)25-20-13-24(2,3)14-21(27)23(20)19(12-22(25)28)16-5-4-6-18(11-16)26(29)30/h4-11,19H,12-14H2,1-3H3/t19-/m1/s1
• InChIKey: ZPMNCZZOKKEZMU-LJQANCHMSA-N
• XLogP: 5.07
• TPSA: 80.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?

The IUPAC name of (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 1267005) is (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione.

What is the SMILES notation for (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?

The canonical SMILES for (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is Cc1ccc(N2C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1.

What is the InChIKey of (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?

The InChIKey is ZPMNCZZOKKEZMU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-7-9-17(10-8-15)25-20-13-24(2,3)14-21(27)23(20)19(12-22(25)28)16-5-4-6-18(11-16)26(29)30/h4-11,19H,12-14H2,1-3H3/t19-/m1/s1.

What are the key properties of (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione?

(4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 404.47 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-7,7-dimethyl-1-(4-methylphenyl)-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 1267005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).