7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

C14H10N2O3 — CID 11579721

IUPAC7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C14H10N2O3/c17-10-3-1-9(2-4-10)16-8-15-13-7-11(18)5-6-12(13)14(16)19/h1-8,17-18H
InChIKeyNECCEJFVHJYYDA-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.80
Rot. Bonds1

About 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one

7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 11579721) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID11579721
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C14H10N2O3/c17-10-3-1-9(2-4-10)16-8-15-13-7-11(18)5-6-12(13)14(16)19/h1-8,17-18H
InChIKeyNECCEJFVHJYYDA-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)-5-(prop-1-en-2-yl)-3,4-dihydroquinazolin-4-one
CID 11637913
7-Hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11644885
3-(3-Fluoro-4-hydroxyphenyl)-5,7-dihydroxy-3,4-dihydroquinazolin-4-one
CID 11659260
2-Butyl-5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11681405
3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5909322
4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl-
CID 21143

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one (CID 11579721) is 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is O=c1c2ccc(O)cc2ncn1-c1ccc(O)cc1.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is NECCEJFVHJYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-10-3-1-9(2-4-10)16-8-15-13-7-11(18)5-6-12(13)14(16)19/h1-8,17-18H.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one?
7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 254.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11579721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).