2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc

C21H16Cl2N2O2Zn — CID 45050017

IUPAC2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc
SMILESCl[Zn]Cl.O=C1NC(C(=O)c2ccccc2)(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H16N2O2.2ClH.Zn/c24-19(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20(25)23-21;;;/h1-14,22H,(H,23,25);2*1H;/q;;;+2/p-2
InChIKeyJOJWRGIBHGOMTI-UHFFFAOYSA-L
MW464.67 g/mol
LogP4.95
Rot. Bonds3

About 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc

2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc (PubChem CID 45050017) has the molecular formula C21H16Cl2N2O2Zn and a molecular weight of 464.67 g/mol. Its IUPAC name is 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc.

Molecular Properties

Compound Name2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc
PubChem CID45050017
Molecular FormulaC21H16Cl2N2O2Zn
Molecular Weight464.67 g/mol
Exact Mass461.99
IUPAC Name2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc
SMILESCl[Zn]Cl.O=C1NC(C(=O)c2ccccc2)(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C21H16N2O2.2ClH.Zn/c24-19(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20(25)23-21;;;/h1-14,22H,(H,23,25);2*1H;/q;;;+2/p-2
InChIKeyJOJWRGIBHGOMTI-UHFFFAOYSA-L
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.67
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc?
The IUPAC name of 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc (CID 45050017) is 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc.
What is the SMILES notation for 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc?
The canonical SMILES for 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc is Cl[Zn]Cl.O=C1NC(C(=O)c2ccccc2)(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc?
The InChIKey is JOJWRGIBHGOMTI-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H16N2O2.2ClH.Zn/c24-19(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20(25)23-21;;;/h1-14,22H,(H,23,25);2*1H;/q;;;+2/p-2.
What are the key properties of 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc?
2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc has a molecular weight of 464.67 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-2-phenyl-1,3-dihydroquinazolin-4-one;dichlorozinc is sourced from PubChem (CID 45050017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).