7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one

C15H12N2O4 — CID 11644885

IUPAC7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C15H12N2O4/c18-7-9-5-12(20)6-13-14(9)15(21)17(8-16-13)10-1-3-11(19)4-2-10/h1-6,8,18-20H,7H2
InChIKeyZPKUQXYUNFFPKO-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.29
Rot. Bonds2

About 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one

7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 11644885) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID11644885
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C15H12N2O4/c18-7-9-5-12(20)6-13-14(9)15(21)17(8-16-13)10-1-3-11(19)4-2-10/h1-6,8,18-20H,7H2
InChIKeyZPKUQXYUNFFPKO-UHFFFAOYSA-N
XLogP1.29
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one (CID 11644885) is 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one is O=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1.
What is the InChIKey of 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is ZPKUQXYUNFFPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-7-9-5-12(20)6-13-14(9)15(21)17(8-16-13)10-1-3-11(19)4-2-10/h1-6,8,18-20H,7H2.
What are the key properties of 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one?
7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 284.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-(hydroxymethyl)-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11644885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).