4-(quinazolin-4-ylamino)phenol;hydrochloride

C14H12ClN3O — CID 2790603

IUPAC4-(quinazolin-4-ylamino)phenol;hydrochloride
SMILESCl.Oc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C14H11N3O.ClH/c18-11-7-5-10(6-8-11)17-14-12-3-1-2-4-13(12)15-9-16-14;/h1-9,18H,(H,15,16,17);1H
InChIKeyDIPXYAUOTKPXJP-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.50
Rot. Bonds2

About 4-(quinazolin-4-ylamino)phenol;hydrochloride

4-(quinazolin-4-ylamino)phenol;hydrochloride (PubChem CID 2790603) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(quinazolin-4-ylamino)phenol;hydrochloride.

Molecular Properties

Compound Name4-(quinazolin-4-ylamino)phenol;hydrochloride
PubChem CID2790603
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(quinazolin-4-ylamino)phenol;hydrochloride
SMILESCl.Oc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C14H11N3O.ClH/c18-11-7-5-10(6-8-11)17-14-12-3-1-2-4-13(12)15-9-16-14;/h1-9,18H,(H,15,16,17);1H
InChIKeyDIPXYAUOTKPXJP-UHFFFAOYSA-N
XLogP3.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(quinazolin-4-ylamino)phenol;hydrochloride?
The IUPAC name of 4-(quinazolin-4-ylamino)phenol;hydrochloride (CID 2790603) is 4-(quinazolin-4-ylamino)phenol;hydrochloride.
What is the SMILES notation for 4-(quinazolin-4-ylamino)phenol;hydrochloride?
The canonical SMILES for 4-(quinazolin-4-ylamino)phenol;hydrochloride is Cl.Oc1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-(quinazolin-4-ylamino)phenol;hydrochloride?
The InChIKey is DIPXYAUOTKPXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.ClH/c18-11-7-5-10(6-8-11)17-14-12-3-1-2-4-13(12)15-9-16-14;/h1-9,18H,(H,15,16,17);1H.
What are the key properties of 4-(quinazolin-4-ylamino)phenol;hydrochloride?
4-(quinazolin-4-ylamino)phenol;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinazolin-4-ylamino)phenol;hydrochloride is sourced from PubChem (CID 2790603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).