2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol

C19H20N4O — CID 71508231

IUPAC2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol
SMILESOc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H20N4O/c24-18-8-4-1-5-15(18)13-22-9-11-23(12-10-22)19-16-6-2-3-7-17(16)20-14-21-19/h1-8,14,24H,9-13H2
InChIKeyPWMOQKSUXLFNPS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.66
Rot. Bonds3

About 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol

2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol (PubChem CID 71508231) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol
PubChem CID71508231
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol
SMILESOc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H20N4O/c24-18-8-4-1-5-15(18)13-22-9-11-23(12-10-22)19-16-6-2-3-7-17(16)20-14-21-19/h1-8,14,24H,9-13H2
InChIKeyPWMOQKSUXLFNPS-UHFFFAOYSA-N
XLogP2.66
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
methyl 4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1H-pyrazole-5-carboxylate
CID 56893568
4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 56912301
4-(azepan-1-yl)quinazoline
CID 5207391
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
CID 56902186
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
CID 1191450
4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 56887626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol (CID 71508231) is 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol is Oc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol?
The InChIKey is PWMOQKSUXLFNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-18-8-4-1-5-15(18)13-22-9-11-23(12-10-22)19-16-6-2-3-7-17(16)20-14-21-19/h1-8,14,24H,9-13H2.
What are the key properties of 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol?
2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol has a molecular weight of 320.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 71508231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).