3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

C14H12N2O3 — CID 2873178

IUPAC3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1O
InChIInChI=1S/C14H12N2O3/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16(13)19/h1-8,13,15,17,19H
InChIKeyYWNTUOFSCXUWIK-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.35
Rot. Bonds1

About 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2873178) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2873178
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1O
InChIInChI=1S/C14H12N2O3/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16(13)19/h1-8,13,15,17,19H
InChIKeyYWNTUOFSCXUWIK-UHFFFAOYSA-N
XLogP2.35
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (CID 2873178) is 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2O)N1O.
What is the InChIKey of 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is YWNTUOFSCXUWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16(13)19/h1-8,13,15,17,19H.
What are the key properties of 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 256.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2873178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).