1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol

C21H24N4O2 — CID 118796621

IUPAC1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol
SMILESOC(COc1ncnc2ccccc12)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N4O2/c26-18(15-27-21-19-8-4-5-9-20(19)22-16-23-21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,18,26H,10-15H2
InChIKeyWEDMVAMOHXVMLB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.19
Rot. Bonds6

About 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol

1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796621) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796621
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol
SMILESOC(COc1ncnc2ccccc12)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N4O2/c26-18(15-27-21-19-8-4-5-9-20(19)22-16-23-21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,18,26H,10-15H2
InChIKeyWEDMVAMOHXVMLB-UHFFFAOYSA-N
XLogP2.19
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol (CID 118796621) is 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol is OC(COc1ncnc2ccccc12)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is WEDMVAMOHXVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-18(15-27-21-19-8-4-5-9-20(19)22-16-23-21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,18,26H,10-15H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol?
1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol has a molecular weight of 364.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).