2-phenylquinazoline-6,7-diol

C14H10N2O2 — CID 137014839

IUPAC2-phenylquinazoline-6,7-diol
SMILESOc1cc2cnc(-c3ccccc3)nc2cc1O
InChIInChI=1S/C14H10N2O2/c17-12-6-10-8-15-14(9-4-2-1-3-5-9)16-11(10)7-13(12)18/h1-8,17-18H
InChIKeyRWTSXSSSATUCGY-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.71
Rot. Bonds1

About 2-phenylquinazoline-6,7-diol

2-phenylquinazoline-6,7-diol (PubChem CID 137014839) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-phenylquinazoline-6,7-diol.

Molecular Properties

Compound Name2-phenylquinazoline-6,7-diol
PubChem CID137014839
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-phenylquinazoline-6,7-diol
SMILESOc1cc2cnc(-c3ccccc3)nc2cc1O
InChIInChI=1S/C14H10N2O2/c17-12-6-10-8-15-14(9-4-2-1-3-5-9)16-11(10)7-13(12)18/h1-8,17-18H
InChIKeyRWTSXSSSATUCGY-UHFFFAOYSA-N
XLogP2.71
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-phenylquinazoline-6,7-diol?
The IUPAC name of 2-phenylquinazoline-6,7-diol (CID 137014839) is 2-phenylquinazoline-6,7-diol.
What is the SMILES notation for 2-phenylquinazoline-6,7-diol?
The canonical SMILES for 2-phenylquinazoline-6,7-diol is Oc1cc2cnc(-c3ccccc3)nc2cc1O.
What is the InChIKey of 2-phenylquinazoline-6,7-diol?
The InChIKey is RWTSXSSSATUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-12-6-10-8-15-14(9-4-2-1-3-5-9)16-11(10)7-13(12)18/h1-8,17-18H.
What are the key properties of 2-phenylquinazoline-6,7-diol?
2-phenylquinazoline-6,7-diol has a molecular weight of 238.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylquinazoline-6,7-diol is sourced from PubChem (CID 137014839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).