5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one

C15H12N2O4 — CID 11644884

IUPAC5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one
SMILESCc1cc(-n2cnc3cc(O)cc(O)c3c2=O)ccc1O
InChIInChI=1S/C15H12N2O4/c1-8-4-9(2-3-12(8)19)17-7-16-11-5-10(18)6-13(20)14(11)15(17)21/h2-7,18-20H,1H3
InChIKeyPEHWCJWHWHLLMB-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.81
Rot. Bonds1

About 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one

5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one (PubChem CID 11644884) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one
PubChem CID11644884
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one
SMILESCc1cc(-n2cnc3cc(O)cc(O)c3c2=O)ccc1O
InChIInChI=1S/C15H12N2O4/c1-8-4-9(2-3-12(8)19)17-7-16-11-5-10(18)6-13(20)14(11)15(17)21/h2-7,18-20H,1H3
InChIKeyPEHWCJWHWHLLMB-UHFFFAOYSA-N
XLogP1.81
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one (CID 11644884) is 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one is Cc1cc(-n2cnc3cc(O)cc(O)c3c2=O)ccc1O.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one?
The InChIKey is PEHWCJWHWHLLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-8-4-9(2-3-12(8)19)17-7-16-11-5-10(18)6-13(20)14(11)15(17)21/h2-7,18-20H,1H3.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one?
5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one has a molecular weight of 284.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxy-3-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 11644884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).