2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one

C15H10BrFN2O2 — CID 168551002

IUPAC2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccc(F)c(-c2nc3ccccc3c(=O)[nH]2)c1Br
InChIInChI=1S/C15H10BrFN2O2/c1-21-11-7-6-9(17)12(13(11)16)14-18-10-5-3-2-4-8(10)15(20)19-14/h2-7H,1H3,(H,18,19,20)
InChIKeyYCOJJAOFFBUBFN-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.50
Rot. Bonds2

About 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one

2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168551002) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID168551002
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1ccc(F)c(-c2nc3ccccc3c(=O)[nH]2)c1Br
InChIInChI=1S/C15H10BrFN2O2/c1-21-11-7-6-9(17)12(13(11)16)14-18-10-5-3-2-4-8(10)15(20)19-14/h2-7H,1H3,(H,18,19,20)
InChIKeyYCOJJAOFFBUBFN-UHFFFAOYSA-N
XLogP3.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552940
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552135
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-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
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-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one (CID 168551002) is 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one is COc1ccc(F)c(-c2nc3ccccc3c(=O)[nH]2)c1Br.
What is the InChIKey of 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is YCOJJAOFFBUBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-21-11-7-6-9(17)12(13(11)16)14-18-10-5-3-2-4-8(10)15(20)19-14/h2-7H,1H3,(H,18,19,20).
What are the key properties of 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one?
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 349.16 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).