6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one

C14H10N2O3 — CID 137014833

IUPAC6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2cc(O)c(O)cc12
InChIInChI=1S/C14H10N2O3/c17-11-6-9-10(7-12(11)18)15-13(16-14(9)19)8-4-2-1-3-5-8/h1-7,17-18H,(H,15,16,19)
InChIKeyIRGMMWIKVYTHAW-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.00
Rot. Bonds1

About 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one

6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one (PubChem CID 137014833) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
PubChem CID137014833
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2cc(O)c(O)cc12
InChIInChI=1S/C14H10N2O3/c17-11-6-9-10(7-12(11)18)15-13(16-14(9)19)8-4-2-1-3-5-8/h1-7,17-18H,(H,15,16,19)
InChIKeyIRGMMWIKVYTHAW-UHFFFAOYSA-N
XLogP2.00
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738
2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999629
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
2-phenyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 135603555
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
CID 168552834
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one?
The IUPAC name of 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one (CID 137014833) is 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2)nc2cc(O)c(O)cc12.
What is the InChIKey of 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one?
The InChIKey is IRGMMWIKVYTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-11-6-9-10(7-12(11)18)15-13(16-14(9)19)8-4-2-1-3-5-8/h1-7,17-18H,(H,15,16,19).
What are the key properties of 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one?
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one has a molecular weight of 254.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 137014833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).