2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one

C15H9BrCl2N2O — CID 21216044

IUPAC2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(CBr)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-8-14-19-13-4-2-1-3-10(13)15(21)20(14)9-5-6-11(17)12(18)7-9/h1-7H,8H2
InChIKeyJFVMAWQHXQNFLX-UHFFFAOYSA-N
MW384.06 g/mol
LogP4.59
Rot. Bonds2

About 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one

2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one (PubChem CID 21216044) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one
PubChem CID21216044
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(CBr)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-8-14-19-13-4-2-1-3-10(13)15(21)20(14)9-5-6-11(17)12(18)7-9/h1-7H,8H2
InChIKeyJFVMAWQHXQNFLX-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.06
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
2-[(2-tert-butylquinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one
CID 19798659
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-(chloromethyl)-3-(4-fluoro-3-methylphenyl)quinazolin-4-one
CID 62812753
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
CID 61064933
3-(3,4-dichlorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2809763
2-(bromomethyl)-3-methoxyquinazolin-4-one
CID 59898751
3-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-one
CID 3786495

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one?
The IUPAC name of 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one (CID 21216044) is 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one?
The canonical SMILES for 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one is O=c1c2ccccc2nc(CBr)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one?
The InChIKey is JFVMAWQHXQNFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-8-14-19-13-4-2-1-3-10(13)15(21)20(14)9-5-6-11(17)12(18)7-9/h1-7H,8H2.
What are the key properties of 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one?
2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one has a molecular weight of 384.06 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one is sourced from PubChem (CID 21216044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).