1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol

C15H17F3N4O — CID 126894549

IUPAC1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
SMILESOC(CN1CCN(c2ccc3ncncc3c2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)14(23)9-21-3-5-22(6-4-21)12-1-2-13-11(7-12)8-19-10-20-13/h1-2,7-8,10,14,23H,3-6,9H2
InChIKeyMRNUGMUBWMAIQY-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.67
Rot. Bonds3

About 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol

1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol (PubChem CID 126894549) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
PubChem CID126894549
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
SMILESOC(CN1CCN(c2ccc3ncncc3c2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)14(23)9-21-3-5-22(6-4-21)12-1-2-13-11(7-12)8-19-10-20-13/h1-2,7-8,10,14,23H,3-6,9H2
InChIKeyMRNUGMUBWMAIQY-UHFFFAOYSA-N
XLogP1.67
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol (CID 126894549) is 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol is OC(CN1CCN(c2ccc3ncncc3c2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is MRNUGMUBWMAIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)14(23)9-21-3-5-22(6-4-21)12-1-2-13-11(7-12)8-19-10-20-13/h1-2,7-8,10,14,23H,3-6,9H2.
What are the key properties of 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 326.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 126894549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).