6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one

C17H14BrFN2O — CID 1302543

IUPAC6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C17H14BrFN2O/c1-2-5-16-20-14-9-8-11(18)10-12(14)17(22)21(16)15-7-4-3-6-13(15)19/h3-4,6-10H,2,5H2,1H3
InChIKeyOHOHRMYOSFUQQD-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.24
Rot. Bonds3

About 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one

6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one (PubChem CID 1302543) has the molecular formula C17H14BrFN2O and a molecular weight of 361.21 g/mol. Its IUPAC name is 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one
PubChem CID1302543
Molecular FormulaC17H14BrFN2O
Molecular Weight361.21 g/mol
Exact Mass360.03
IUPAC Name6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C17H14BrFN2O/c1-2-5-16-20-14-9-8-11(18)10-12(14)17(22)21(16)15-7-4-3-6-13(15)19/h3-4,6-10H,2,5H2,1H3
InChIKeyOHOHRMYOSFUQQD-UHFFFAOYSA-N
XLogP4.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one
CID 1290191
6-bromo-3-[[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126330132
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126328161
6-bromo-3-[[5-bromo-2-[(2-fluorophenyl)methoxy]-3-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126330628
6-nitro-3-phenyl-2-propylquinazolin-4-one
CID 154639059
6-bromo-3-[(1-phenylpyrrol-2-yl)methylideneamino]-2-propylquinazolin-4-one
CID 126320801
6-bromo-3-[(5-methylthiophen-2-yl)methylideneamino]-2-propylquinazolin-4-one
CID 126319220
6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126329972
2-[4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-2,6-diiodophenoxy]-N-(2-fluorophenyl)acetamide
CID 126321802
6-bromo-3-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126306877

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one?
The IUPAC name of 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one (CID 1302543) is 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one is CCCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1F.
What is the InChIKey of 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one?
The InChIKey is OHOHRMYOSFUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O/c1-2-5-16-20-14-9-8-11(18)10-12(14)17(22)21(16)15-7-4-3-6-13(15)19/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one?
6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one has a molecular weight of 361.21 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-fluorophenyl)-2-propylquinazolin-4-one is sourced from PubChem (CID 1302543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).