4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline

C19H17F3N4 — CID 3233915

IUPAC4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline
SMILESFC(F)(F)c1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C19H17F3N4/c20-19(21,22)15-7-3-1-5-13(15)17-24-16-8-4-2-6-14(16)18(25-17)26-11-9-23-10-12-26/h1-8,23H,9-12H2
InChIKeyAVSMVCCWSJPHSJ-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.73
Rot. Bonds2

About 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline

4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline (PubChem CID 3233915) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline
PubChem CID3233915
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline
SMILESFC(F)(F)c1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1
InChIInChI=1S/C19H17F3N4/c20-19(21,22)15-7-3-1-5-13(15)17-24-16-8-4-2-6-14(16)18(25-17)26-11-9-23-10-12-26/h1-8,23H,9-12H2
InChIKeyAVSMVCCWSJPHSJ-UHFFFAOYSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline?
The IUPAC name of 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline (CID 3233915) is 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline.
What is the SMILES notation for 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline?
The canonical SMILES for 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline is FC(F)(F)c1ccccc1-c1nc(N2CCNCC2)c2ccccc2n1.
What is the InChIKey of 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline?
The InChIKey is AVSMVCCWSJPHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c20-19(21,22)15-7-3-1-5-13(15)17-24-16-8-4-2-6-14(16)18(25-17)26-11-9-23-10-12-26/h1-8,23H,9-12H2.
What are the key properties of 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline?
4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline has a molecular weight of 358.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]quinazoline is sourced from PubChem (CID 3233915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).