4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol

C16H15N3O3 — CID 3794

IUPAC4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
SMILESCOc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)
InChIKeyHOZUXBLMYUPGPZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.10
Rot. Bonds4

About 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol

4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol (PubChem CID 3794) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
PubChem CID3794
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
SMILESCOc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)
InChIKeyHOZUXBLMYUPGPZ-UHFFFAOYSA-N
XLogP3.10
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol (CID 3794) is 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol is COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol?
The InChIKey is HOZUXBLMYUPGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19).
What are the key properties of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol?
4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol has a molecular weight of 297.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 3794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).