3-(2-bromoethyl)-7-fluoroquinazolin-4-one

C10H8BrFN2O — CID 122191245

IUPAC3-(2-bromoethyl)-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1CCBr
InChIInChI=1S/C10H8BrFN2O/c11-3-4-14-6-13-9-5-7(12)1-2-8(9)10(14)15/h1-2,5-6H,3-4H2
InChIKeyFKKVJOYIPILJTP-UHFFFAOYSA-N
MW271.09 g/mol
LogP1.93
Rot. Bonds2

About 3-(2-bromoethyl)-7-fluoroquinazolin-4-one

3-(2-bromoethyl)-7-fluoroquinazolin-4-one (PubChem CID 122191245) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 3-(2-bromoethyl)-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-bromoethyl)-7-fluoroquinazolin-4-one
PubChem CID122191245
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name3-(2-bromoethyl)-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1CCBr
InChIInChI=1S/C10H8BrFN2O/c11-3-4-14-6-13-9-5-7(12)1-2-8(9)10(14)15/h1-2,5-6H,3-4H2
InChIKeyFKKVJOYIPILJTP-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.93
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

3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264462
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
7-[2-(4-fluorophenyl)ethynyl]-3-propylquinazolin-4-one
CID 58574886
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-7-fluoroquinazolin-4-one
CID 40743908
7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
CID 78961139

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-7-fluoroquinazolin-4-one?
The IUPAC name of 3-(2-bromoethyl)-7-fluoroquinazolin-4-one (CID 122191245) is 3-(2-bromoethyl)-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-(2-bromoethyl)-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-(2-bromoethyl)-7-fluoroquinazolin-4-one is O=c1c2ccc(F)cc2ncn1CCBr.
What is the InChIKey of 3-(2-bromoethyl)-7-fluoroquinazolin-4-one?
The InChIKey is FKKVJOYIPILJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-3-4-14-6-13-9-5-7(12)1-2-8(9)10(14)15/h1-2,5-6H,3-4H2.
What are the key properties of 3-(2-bromoethyl)-7-fluoroquinazolin-4-one?
3-(2-bromoethyl)-7-fluoroquinazolin-4-one has a molecular weight of 271.09 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-7-fluoroquinazolin-4-one is sourced from PubChem (CID 122191245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).