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

C14H12N2O2 — CID 3117364

IUPAC2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2O)Nc2ccccc21
InChIInChI=1S/C14H12N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,13,15,17H,(H,16,18)
InChIKeyBXIPTFOWLQHBIH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.25
Rot. Bonds1

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

2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 3117364) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID3117364
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccccc2O)Nc2ccccc21
InChIInChI=1S/C14H12N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,13,15,17H,(H,16,18)
InChIKeyBXIPTFOWLQHBIH-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 3117364) is 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccccc2O)Nc2ccccc21.
What is the InChIKey of 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is BXIPTFOWLQHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,13,15,17H,(H,16,18).
What are the key properties of 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 240.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 3117364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).