2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one

C17H15IN4O2 — CID 10873743

IUPAC2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one
SMILESNNCC(=O)Cc1nc2ccc(I)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H15IN4O2/c18-11-6-7-15-14(8-11)17(24)22(12-4-2-1-3-5-12)16(21-15)9-13(23)10-20-19/h1-8,20H,9-10,19H2
InChIKeyXMIYMIISOOZCCN-UHFFFAOYSA-N
MW434.24 g/mol
LogP1.57
Rot. Bonds5

About 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one

2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one (PubChem CID 10873743) has the molecular formula C17H15IN4O2 and a molecular weight of 434.24 g/mol. Its IUPAC name is 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one
PubChem CID10873743
Molecular FormulaC17H15IN4O2
Molecular Weight434.24 g/mol
Exact Mass434.02
IUPAC Name2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one
SMILESNNCC(=O)Cc1nc2ccc(I)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H15IN4O2/c18-11-6-7-15-14(8-11)17(24)22(12-4-2-1-3-5-12)16(21-15)9-13(23)10-20-19/h1-8,20H,9-10,19H2
InChIKeyXMIYMIISOOZCCN-UHFFFAOYSA-N
XLogP1.57
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one?
The IUPAC name of 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one (CID 10873743) is 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one?
The canonical SMILES for 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one is NNCC(=O)Cc1nc2ccc(I)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one?
The InChIKey is XMIYMIISOOZCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN4O2/c18-11-6-7-15-14(8-11)17(24)22(12-4-2-1-3-5-12)16(21-15)9-13(23)10-20-19/h1-8,20H,9-10,19H2.
What are the key properties of 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one?
2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one has a molecular weight of 434.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-2-oxopropyl)-6-iodo-3-phenylquinazolin-4-one is sourced from PubChem (CID 10873743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).