N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine

C₂₃H₂₆N₆ — CID 167674771

About N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine

N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine (PubChem CID 167674771) has the molecular formula C₂₃H₂₆N₆ and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine.

Molecular Properties

• Compound Name: N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine
• PubChem CID: 167674771
• Molecular Formula: C₂₃H₂₆N₆
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.22
• IUPAC Name: N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine
• SMILES: CC(C)C1=NCc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3c21
• InChI: InChI=1S/C23H26N6/c1-15(2)21-20-16(13-25-21)3-4-17-14-26-23(28-22(17)20)27-18-5-7-19(8-6-18)29-11-9-24-10-12-29/h3-8,14-15,24H,9-13H2,1-2H3,(H,26,27,28)
• InChIKey: QDWHARWSIHARTQ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 65.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?

The IUPAC name of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine (CID 167674771) is N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine.

What is the SMILES notation for N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?

The canonical SMILES for N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine is CC(C)C1=NCc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3c21.

What is the InChIKey of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?

The InChIKey is QDWHARWSIHARTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-15(2)21-20-16(13-25-21)3-4-17-14-26-23(28-22(17)20)27-18-5-7-19(8-6-18)29-11-9-24-10-12-29/h3-8,14-15,24H,9-13H2,1-2H3,(H,26,27,28).

What are the key properties of N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine?

N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-piperazin-1-ylphenyl)-9-propan-2-yl-7H-pyrrolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 167674771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167674771 — identifiers, structure, computed properties (public domain)

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