3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one

C14H9FN2O4 — CID 11659260

IUPAC3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one
SMILESO=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)c(F)c1
InChIInChI=1S/C14H9FN2O4/c15-9-3-7(1-2-11(9)19)17-6-16-10-4-8(18)5-12(20)13(10)14(17)21/h1-6,18-20H
InChIKeySKWIAJGGJLIDEZ-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.64
Rot. Bonds1

About 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one

3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one (PubChem CID 11659260) has the molecular formula C14H9FN2O4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one.

Molecular Properties

Compound Name3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one
PubChem CID11659260
Molecular FormulaC14H9FN2O4
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Name3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one
SMILESO=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)c(F)c1
InChIInChI=1S/C14H9FN2O4/c15-9-3-7(1-2-11(9)19)17-6-16-10-4-8(18)5-12(20)13(10)14(17)21/h1-6,18-20H
InChIKeySKWIAJGGJLIDEZ-UHFFFAOYSA-N
XLogP1.64
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Fluoro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dihydroquinazolin-4-one
CID 10016946
5,7-Dihydroxy-3-(4-hydroxy-2-methylphenyl)-3,4-dihydroquinazolin-4-one
CID 10334049
5,7-dihydroxy-3-(4-hydroxyphenyl)-4(3H)-quinazolinone
CID 10423234
5-Ethenyl-7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11543706
5-Ethyl-7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11558237
7-Hydroxy-3-(4-hydroxyphenyl)-5-methyl-3,4-dihydroquinazolin-4-one
CID 11565235
7-Hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11579721
7-Hydroxy-3-(4-hydroxyphenyl)-5-(prop-1-en-2-yl)-3,4-dihydroquinazolin-4-one
CID 11637913
3-(2-Chloro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dihydroquinazolin-4-one
CID 11666644
2-Butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11681405
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-iodo-3,4-dihydroquinazolin-4-one
CID 11610940
5,7-Dihydroxy-3-(3-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11651922

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
The IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one (CID 11659260) is 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one.
What is the SMILES notation for 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
The canonical SMILES for 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one is O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
The InChIKey is SKWIAJGGJLIDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4/c15-9-3-7(1-2-11(9)19)17-6-16-10-4-8(18)5-12(20)13(10)14(17)21/h1-6,18-20H.
What are the key properties of 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one?
3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one has a molecular weight of 288.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-hydroxyphenyl)-5,7-dihydroxyquinazolin-4-one is sourced from PubChem (CID 11659260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).