4-[(6-methylquinazolin-4-yl)amino]phenol

C15H13N3O — CID 5328825

IUPAC4-[(6-methylquinazolin-4-yl)amino]phenol
SMILESCc1ccc2ncnc(Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C15H13N3O/c1-10-2-7-14-13(8-10)15(17-9-16-14)18-11-3-5-12(19)6-4-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyZFVYHWPXSXICAQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.39
Rot. Bonds2

About 4-[(6-methylquinazolin-4-yl)amino]phenol

4-[(6-methylquinazolin-4-yl)amino]phenol (PubChem CID 5328825) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(6-methylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(6-methylquinazolin-4-yl)amino]phenol
PubChem CID5328825
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-[(6-methylquinazolin-4-yl)amino]phenol
SMILESCc1ccc2ncnc(Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C15H13N3O/c1-10-2-7-14-13(8-10)15(17-9-16-14)18-11-3-5-12(19)6-4-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyZFVYHWPXSXICAQ-UHFFFAOYSA-N
XLogP3.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.39
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-[(6-methylquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-[(6-methylquinazolin-4-yl)amino]phenol (CID 5328825) is 4-[(6-methylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(6-methylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(6-methylquinazolin-4-yl)amino]phenol is Cc1ccc2ncnc(Nc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[(6-methylquinazolin-4-yl)amino]phenol?
The InChIKey is ZFVYHWPXSXICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-2-7-14-13(8-10)15(17-9-16-14)18-11-3-5-12(19)6-4-11/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of 4-[(6-methylquinazolin-4-yl)amino]phenol?
4-[(6-methylquinazolin-4-yl)amino]phenol has a molecular weight of 251.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 5328825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).