2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one

C15H10F2N2O2 — CID 168550827

IUPAC2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(F)c(-c2nc3ccccc3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C15H10F2N2O2/c1-21-8-6-10(16)13(11(17)7-8)14-18-12-5-3-2-4-9(12)15(20)19-14/h2-7H,1H3,(H,18,19,20)
InChIKeyJWJMUJRVTVASIV-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.88
Rot. Bonds2

About 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one

2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168550827) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID168550827
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(F)c(-c2nc3ccccc3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C15H10F2N2O2/c1-21-8-6-10(16)13(11(17)7-8)14-18-12-5-3-2-4-9(12)15(20)19-14/h2-7H,1H3,(H,18,19,20)
InChIKeyJWJMUJRVTVASIV-UHFFFAOYSA-N
XLogP2.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
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-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552135
2-(3-fluoro-4-methoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 168552902
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 168553324

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one (CID 168550827) is 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one is COc1cc(F)c(-c2nc3ccccc3c(=O)[nH]2)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is JWJMUJRVTVASIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-21-8-6-10(16)13(11(17)7-8)14-18-12-5-3-2-4-9(12)15(20)19-14/h2-7H,1H3,(H,18,19,20).
What are the key properties of 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one?
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 288.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168550827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).