4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol

C19H21N5O — CID 769532

IUPAC4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
SMILESCN1CCN(c2nc(Nc3ccc(O)cc3)nc3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-16-4-2-3-5-17(16)21-19(22-18)20-14-6-8-15(25)9-7-14/h2-9,25H,10-13H2,1H3,(H,20,21,22)
InChIKeyVTHMRLOUPKJVSL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds3

About 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol

4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol (PubChem CID 769532) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
PubChem CID769532
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
SMILESCN1CCN(c2nc(Nc3ccc(O)cc3)nc3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-16-4-2-3-5-17(16)21-19(22-18)20-14-6-8-15(25)9-7-14/h2-9,25H,10-13H2,1H3,(H,20,21,22)
InChIKeyVTHMRLOUPKJVSL-UHFFFAOYSA-N
XLogP2.83
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
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-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol (CID 769532) is 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol is CN1CCN(c2nc(Nc3ccc(O)cc3)nc3ccccc23)CC1.
What is the InChIKey of 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
The InChIKey is VTHMRLOUPKJVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)18-16-4-2-3-5-17(16)21-19(22-18)20-14-6-8-15(25)9-7-14/h2-9,25H,10-13H2,1H3,(H,20,21,22).
What are the key properties of 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol?
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol has a molecular weight of 335.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 769532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).