4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol

C18H18N4O2 — CID 769541

IUPAC4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H18N4O2/c23-14-7-5-13(6-8-14)19-18-20-16-4-2-1-3-15(16)17(21-18)22-9-11-24-12-10-22/h1-8,23H,9-12H2,(H,19,20,21)
InChIKeyACLXFAHQRDZZNR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.92
Rot. Bonds3

About 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol

4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol (PubChem CID 769541) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol
PubChem CID769541
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H18N4O2/c23-14-7-5-13(6-8-14)19-18-20-16-4-2-1-3-15(16)17(21-18)22-9-11-24-12-10-22/h1-8,23H,9-12H2,(H,19,20,21)
InChIKeyACLXFAHQRDZZNR-UHFFFAOYSA-N
XLogP2.92
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(4-morpholin-4-ylquinazolin-2-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-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol?
The IUPAC name of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol (CID 769541) is 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol is Oc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol?
The InChIKey is ACLXFAHQRDZZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-14-7-5-13(6-8-14)19-18-20-16-4-2-1-3-15(16)17(21-18)22-9-11-24-12-10-22/h1-8,23H,9-12H2,(H,19,20,21).
What are the key properties of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol?
4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol has a molecular weight of 322.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenol is sourced from PubChem (CID 769541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).