2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one

C16H12F2N2O2 — CID 168553260

IUPAC2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
SMILESCCOc1cc(F)c(-c2nc3ccccc3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C16H12F2N2O2/c1-2-22-9-7-11(17)14(12(18)8-9)15-19-13-6-4-3-5-10(13)16(21)20-15/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyOAOOWYPPUZJAQQ-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.27
Rot. Bonds3

About 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one

2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one (PubChem CID 168553260) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
PubChem CID168553260
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
SMILESCCOc1cc(F)c(-c2nc3ccccc3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C16H12F2N2O2/c1-2-22-9-7-11(17)14(12(18)8-9)15-19-13-6-4-3-5-10(13)16(21)20-15/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyOAOOWYPPUZJAQQ-UHFFFAOYSA-N
XLogP3.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one
CID 168553326
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one (CID 168553260) is 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one is CCOc1cc(F)c(-c2nc3ccccc3c(=O)[nH]2)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one?
The InChIKey is OAOOWYPPUZJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-2-22-9-7-11(17)14(12(18)8-9)15-19-13-6-4-3-5-10(13)16(21)20-15/h3-8H,2H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one?
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one has a molecular weight of 302.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).