1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione

C34H28N4O3 — CID 73402675

About 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione

1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione (PubChem CID 73402675) has the molecular formula C34H28N4O3 and a molecular weight of 540.62 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione.

Molecular Properties

• Compound Name: 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
• PubChem CID: 73402675
• Molecular Formula: C34H28N4O3
• Molecular Weight: 540.62 g/mol
• Exact Mass: 540.22
• IUPAC Name: 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
• SMILES: CC(C)CC1NC2(c3ccccc3-n3c2nc2ccccc2c3=O)C2C(=O)N(c3ccc4ccccc4c3)C(=O)C12
• InChI: InChI=1S/C34H28N4O3/c1-19(2)17-26-28-29(32(41)37(31(28)40)22-16-15-20-9-3-4-10-21(20)18-22)34(36-26)24-12-6-8-14-27(24)38-30(39)23-11-5-7-13-25(23)35-33(34)38/h3-16,18-19,26,28-29,36H,17H2,1-2H3
• InChIKey: AMFTWLGBALJBNF-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.62
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione?

The IUPAC name of 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione (CID 73402675) is 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione.

What is the SMILES notation for 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione?

The canonical SMILES for 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione is CC(C)CC1NC2(c3ccccc3-n3c2nc2ccccc2c3=O)C2C(=O)N(c3ccc4ccccc4c3)C(=O)C12.

What is the InChIKey of 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione?

The InChIKey is AMFTWLGBALJBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O3/c1-19(2)17-26-28-29(32(41)37(31(28)40)22-16-15-20-9-3-4-10-21(20)18-22)34(36-26)24-12-6-8-14-27(24)38-30(39)23-11-5-7-13-25(23)35-33(34)38/h3-16,18-19,26,28-29,36H,17H2,1-2H3.

What are the key properties of 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione?

1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione has a molecular weight of 540.62 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpropyl)-5-naphthalen-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione is sourced from PubChem (CID 73402675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).