7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one

C11H8BrF3N2O — CID 78961139

IUPAC7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1CCC(F)(F)F
InChIInChI=1S/C11H8BrF3N2O/c12-7-1-2-8-9(5-7)16-6-17(10(8)18)4-3-11(13,14)15/h1-2,5-6H,3-4H2
InChIKeyDSIBQDANLKXASD-UHFFFAOYSA-N
MW321.10 g/mol
LogP3.11
Rot. Bonds2

About 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one

7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one (PubChem CID 78961139) has the molecular formula C11H8BrF3N2O and a molecular weight of 321.10 g/mol. Its IUPAC name is 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
PubChem CID78961139
Molecular FormulaC11H8BrF3N2O
Molecular Weight321.10 g/mol
Exact Mass319.98
IUPAC Name7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1CCC(F)(F)F
InChIInChI=1S/C11H8BrF3N2O/c12-7-1-2-8-9(5-7)16-6-17(10(8)18)4-3-11(13,14)15/h1-2,5-6H,3-4H2
InChIKeyDSIBQDANLKXASD-UHFFFAOYSA-N
XLogP3.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
7-bromo-3-(2-tert-butylsulfonylethyl)quinazolin-4-one
CID 103710587
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822
7-bromo-3-pent-4-enylquinazolin-4-one
CID 78992940
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
CID 106455785
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one?
The IUPAC name of 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one (CID 78961139) is 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1CCC(F)(F)F.
What is the InChIKey of 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one?
The InChIKey is DSIBQDANLKXASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O/c12-7-1-2-8-9(5-7)16-6-17(10(8)18)4-3-11(13,14)15/h1-2,5-6H,3-4H2.
What are the key properties of 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one?
7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one has a molecular weight of 321.10 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one is sourced from PubChem (CID 78961139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).