4-(quinazolin-4-ylamino)phenol

C14H11N3O — CID 693195

IUPAC4-(quinazolin-4-ylamino)phenol
SMILESOc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C14H11N3O/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)
InChIKeyRWLYIYZYVWCDJW-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.08
Rot. Bonds2

About 4-(quinazolin-4-ylamino)phenol

4-(quinazolin-4-ylamino)phenol (PubChem CID 693195) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(quinazolin-4-ylamino)phenol.

Molecular Properties

Compound Name4-(quinazolin-4-ylamino)phenol
PubChem CID693195
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(quinazolin-4-ylamino)phenol
SMILESOc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C14H11N3O/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)
InChIKeyRWLYIYZYVWCDJW-UHFFFAOYSA-N
XLogP3.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.08
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?
The IUPAC name of 4-(quinazolin-4-ylamino)phenol (CID 693195) is 4-(quinazolin-4-ylamino)phenol.
What is the SMILES notation for 4-(quinazolin-4-ylamino)phenol?
The canonical SMILES for 4-(quinazolin-4-ylamino)phenol is Oc1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-(quinazolin-4-ylamino)phenol?
The InChIKey is RWLYIYZYVWCDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/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).
What are the key properties of 4-(quinazolin-4-ylamino)phenol?
4-(quinazolin-4-ylamino)phenol has a molecular weight of 237.26 g/mol, XLogP of 3.08, 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 is sourced from PubChem (CID 693195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).