2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C14H12N2O3 — CID 155486790

IUPAC2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc(O)c2O)Nc2ccccc21
InChIInChI=1S/C14H12N2O3/c17-11-7-3-5-9(12(11)18)13-15-10-6-2-1-4-8(10)14(19)16-13/h1-7,13,15,17-18H,(H,16,19)
InChIKeyBKGANBFHAXHZCS-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.95
Rot. Bonds1

About 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 155486790) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID155486790
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc(O)c2O)Nc2ccccc21
InChIInChI=1S/C14H12N2O3/c17-11-7-3-5-9(12(11)18)13-15-10-6-2-1-4-8(10)14(19)16-13/h1-7,13,15,17-18H,(H,16,19)
InChIKeyBKGANBFHAXHZCS-UHFFFAOYSA-N
XLogP1.95
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41143825
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172
(2R)-3-cyclopropyl-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008478
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605
2,6-bis(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 102039871
2-(2-heptoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 54778417
4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde
CID 57333053

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 155486790) is 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2cccc(O)c2O)Nc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is BKGANBFHAXHZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-11-7-3-5-9(12(11)18)13-15-10-6-2-1-4-8(10)14(19)16-13/h1-7,13,15,17-18H,(H,16,19).
What are the key properties of 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 256.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 155486790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).