4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol

C21H17N3O — CID 725403

IUPAC4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESCc1ccc(O)c(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H17N3O/c1-14-11-12-19(25)18(13-14)23-21-16-9-5-6-10-17(16)22-20(24-21)15-7-3-2-4-8-15/h2-13,25H,1H3,(H,22,23,24)
InChIKeyDMNCNSHXXUBKDY-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds3

About 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol

4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol (PubChem CID 725403) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol
PubChem CID725403
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESCc1ccc(O)c(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H17N3O/c1-14-11-12-19(25)18(13-14)23-21-16-9-5-6-10-17(16)22-20(24-21)15-7-3-2-4-8-15/h2-13,25H,1H3,(H,22,23,24)
InChIKeyDMNCNSHXXUBKDY-UHFFFAOYSA-N
XLogP5.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol (CID 725403) is 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol is Cc1ccc(O)c(Nc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol?
The InChIKey is DMNCNSHXXUBKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-11-12-19(25)18(13-14)23-21-16-9-5-6-10-17(16)22-20(24-21)15-7-3-2-4-8-15/h2-13,25H,1H3,(H,22,23,24).
What are the key properties of 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol?
4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol has a molecular weight of 327.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-phenylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 725403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).