4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline

C20H19F3N4 — CID 3233972

IUPAC4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4ccccc4C(F)(F)F)cc23)CC1
InChIInChI=1S/C20H19F3N4/c1-26-8-10-27(11-9-26)19-16-12-14(6-7-18(16)24-13-25-19)15-4-2-3-5-17(15)20(21,22)23/h2-7,12-13H,8-11H2,1H3
InChIKeyICYBZDGFVODRMW-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.07
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline

4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline (PubChem CID 3233972) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline
PubChem CID3233972
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4ccccc4C(F)(F)F)cc23)CC1
InChIInChI=1S/C20H19F3N4/c1-26-8-10-27(11-9-26)19-16-12-14(6-7-18(16)24-13-25-19)15-4-2-3-5-17(15)20(21,22)23/h2-7,12-13H,8-11H2,1H3
InChIKeyICYBZDGFVODRMW-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline (CID 3233972) is 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline is CN1CCN(c2ncnc3ccc(-c4ccccc4C(F)(F)F)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline?
The InChIKey is ICYBZDGFVODRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-26-8-10-27(11-9-26)19-16-12-14(6-7-18(16)24-13-25-19)15-4-2-3-5-17(15)20(21,22)23/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline?
4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline has a molecular weight of 372.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]quinazoline is sourced from PubChem (CID 3233972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).