2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

C30H25N5O4 — CID 1497142

About 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (PubChem CID 1497142) has the molecular formula C30H25N5O4 and a molecular weight of 519.56 g/mol. Its IUPAC name is 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
• PubChem CID: 1497142
• Molecular Formula: C30H25N5O4
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.19
• IUPAC Name: 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
• SMILES: Cc1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C30H25N5O4/c1-19-26(30(39)35(32(19)2)20-11-4-3-5-12-20)34-25(31-24-16-9-8-15-23(24)29(34)38)17-10-18-33-27(36)21-13-6-7-14-22(21)28(33)37/h3-9,11-16H,10,17-18H2,1-2H3
• InChIKey: UNEMJGYGPZZZRI-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 99.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?

The IUPAC name of 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (CID 1497142) is 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?

The canonical SMILES for 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is Cc1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?

The InChIKey is UNEMJGYGPZZZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O4/c1-19-26(30(39)35(32(19)2)20-11-4-3-5-12-20)34-25(31-24-16-9-8-15-23(24)29(34)38)17-10-18-33-27(36)21-13-6-7-14-22(21)28(33)37/h3-9,11-16H,10,17-18H2,1-2H3.

What are the key properties of 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?

2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione has a molecular weight of 519.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 1497142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).