4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride

C19H21ClN4O2 — CID 2953078

IUPAC4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
SMILESCl.Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O2.ClH/c24-14-9-7-13(8-10-14)21-19-22-17-6-2-1-5-16(17)18(23-19)20-12-15-4-3-11-25-15;/h1-2,5-10,15,24H,3-4,11-12H2,(H2,20,21,22,23);1H
InChIKeyXVUOUWDBFGBPAL-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.09
Rot. Bonds5

About 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride

4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride (PubChem CID 2953078) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
PubChem CID2953078
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
SMILESCl.Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O2.ClH/c24-14-9-7-13(8-10-14)21-19-22-17-6-2-1-5-16(17)18(23-19)20-12-15-4-3-11-25-15;/h1-2,5-10,15,24H,3-4,11-12H2,(H2,20,21,22,23);1H
InChIKeyXVUOUWDBFGBPAL-UHFFFAOYSA-N
XLogP4.09
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.09
H-Bond Donors ≤ 53
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-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The IUPAC name of 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride (CID 2953078) is 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride.
What is the SMILES notation for 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The canonical SMILES for 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride is Cl.Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The InChIKey is XVUOUWDBFGBPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c24-14-9-7-13(8-10-14)21-19-22-17-6-2-1-5-16(17)18(23-19)20-12-15-4-3-11-25-15;/h1-2,5-10,15,24H,3-4,11-12H2,(H2,20,21,22,23);1H.
What are the key properties of 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride is sourced from PubChem (CID 2953078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).