2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one

C14H8BrFN2O — CID 168550701

IUPAC2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(F)ccc2Br)nc2ccccc12
InChIInChI=1S/C14H8BrFN2O/c15-11-6-5-8(16)7-10(11)13-17-12-4-2-1-3-9(12)14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyFDZUBBFFQODKLA-UHFFFAOYSA-N
MW319.13 g/mol
LogP3.49
Rot. Bonds1

About 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one

2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one (PubChem CID 168550701) has the molecular formula C14H8BrFN2O and a molecular weight of 319.13 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
PubChem CID168550701
Molecular FormulaC14H8BrFN2O
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(F)ccc2Br)nc2ccccc12
InChIInChI=1S/C14H8BrFN2O/c15-11-6-5-8(16)7-10(11)13-17-12-4-2-1-3-9(12)14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyFDZUBBFFQODKLA-UHFFFAOYSA-N
XLogP3.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
CID 168552454
2-[5-(bromomethyl)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168553251
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-[3-bromo-2-hydroxy-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552884
2-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-3H-quinazolin-4-one
CID 168553364

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one (CID 168550701) is 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(F)ccc2Br)nc2ccccc12.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one?
The InChIKey is FDZUBBFFQODKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O/c15-11-6-5-8(16)7-10(11)13-17-12-4-2-1-3-9(12)14(19)18-13/h1-7H,(H,17,18,19).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one?
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one has a molecular weight of 319.13 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168550701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).