2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

C15H7BrF4N2O — CID 168552940

IUPAC2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2c(F)ccc(C(F)(F)F)c2Br)nc2ccccc12
InChIInChI=1S/C15H7BrF4N2O/c16-12-8(15(18,19)20)5-6-9(17)11(12)13-21-10-4-2-1-3-7(10)14(23)22-13/h1-6H,(H,21,22,23)
InChIKeyRVHDTIOEZIRVDR-UHFFFAOYSA-N
MW387.13 g/mol
LogP4.51
Rot. Bonds1

About 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168552940) has the molecular formula C15H7BrF4N2O and a molecular weight of 387.13 g/mol. Its IUPAC name is 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
PubChem CID168552940
Molecular FormulaC15H7BrF4N2O
Molecular Weight387.13 g/mol
Exact Mass385.97
IUPAC Name2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2c(F)ccc(C(F)(F)F)c2Br)nc2ccccc12
InChIInChI=1S/C15H7BrF4N2O/c16-12-8(15(18,19)20)5-6-9(17)11(12)13-21-10-4-2-1-3-7(10)14(23)22-13/h1-6H,(H,21,22,23)
InChIKeyRVHDTIOEZIRVDR-UHFFFAOYSA-N
XLogP4.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 168553324
2-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552892
2-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552135
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (CID 168552940) is 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2c(F)ccc(C(F)(F)F)c2Br)nc2ccccc12.
What is the InChIKey of 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is RVHDTIOEZIRVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF4N2O/c16-12-8(15(18,19)20)5-6-9(17)11(12)13-21-10-4-2-1-3-7(10)14(23)22-13/h1-6H,(H,21,22,23).
What are the key properties of 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 387.13 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).