6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one

C16H10BrFN2O2 — CID 7488169

IUPAC6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1F
InChIInChI=1S/C16H10BrFN2O2/c17-10-5-6-14-12(7-10)16(22)20(9-19-14)8-15(21)11-3-1-2-4-13(11)18/h1-7,9H,8H2
InChIKeyUXDYVMIZSWPHNY-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.18
Rot. Bonds3

About 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one

6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 7488169) has the molecular formula C16H10BrFN2O2 and a molecular weight of 361.17 g/mol. Its IUPAC name is 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID7488169
Molecular FormulaC16H10BrFN2O2
Molecular Weight361.17 g/mol
Exact Mass359.99
IUPAC Name6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1F
InChIInChI=1S/C16H10BrFN2O2/c17-10-5-6-14-12(7-10)16(22)20(9-19-14)8-15(21)11-3-1-2-4-13(11)18/h1-7,9H,8H2
InChIKeyUXDYVMIZSWPHNY-UHFFFAOYSA-N
XLogP3.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
6-bromo-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]quinazolin-4-one
CID 38834090
(2-fluorophenyl)methyl 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 55517319
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 105116406
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278023
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
3-[2-(2-fluorophenyl)-2-oxoethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342903
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one (CID 7488169) is 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1F.
What is the InChIKey of 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is UXDYVMIZSWPHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O2/c17-10-5-6-14-12(7-10)16(22)20(9-19-14)8-15(21)11-3-1-2-4-13(11)18/h1-7,9H,8H2.
What are the key properties of 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one?
6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 361.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7488169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).