1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

C22H23F3N4O2 — CID 118796630

IUPAC1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ncnc2ccccc12)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)16-4-3-5-17(12-16)29-10-8-28(9-11-29)13-18(30)14-31-21-19-6-1-2-7-20(19)26-15-27-21/h1-7,12,15,18,30H,8-11,13-14H2
InChIKeyZYCGVUUIDVXHPY-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.21
Rot. Bonds6

About 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (PubChem CID 118796630) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
PubChem CID118796630
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ncnc2ccccc12)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)16-4-3-5-17(12-16)29-10-8-28(9-11-29)13-18(30)14-31-21-19-6-1-2-7-20(19)26-15-27-21/h1-7,12,15,18,30H,8-11,13-14H2
InChIKeyZYCGVUUIDVXHPY-UHFFFAOYSA-N
XLogP3.21
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (CID 118796630) is 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is OC(COc1ncnc2ccccc12)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is ZYCGVUUIDVXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c23-22(24,25)16-4-3-5-17(12-16)29-10-8-28(9-11-29)13-18(30)14-31-21-19-6-1-2-7-20(19)26-15-27-21/h1-7,12,15,18,30H,8-11,13-14H2.
What are the key properties of 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 432.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-4-yloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 118796630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).