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

C20H19F3N4 — CID 3234337

IUPAC4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline
SMILESCN1CCN(c2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C20H19F3N4/c1-26-10-12-27(13-11-26)19-15-7-3-5-9-17(15)24-18(25-19)14-6-2-4-8-16(14)20(21,22)23/h2-9H,10-13H2,1H3
InChIKeyUUGFTCHJHZFNHS-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.07
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline (PubChem CID 3234337) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline
PubChem CID3234337
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline
SMILESCN1CCN(c2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C20H19F3N4/c1-26-10-12-27(13-11-26)19-15-7-3-5-9-17(15)24-18(25-19)14-6-2-4-8-16(14)20(21,22)23/h2-9H,10-13H2,1H3
InChIKeyUUGFTCHJHZFNHS-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

Analyze 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline (CID 3234337) is 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline is CN1CCN(c2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
The InChIKey is UUGFTCHJHZFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-26-10-12-27(13-11-26)19-15-7-3-5-9-17(15)24-18(25-19)14-6-2-4-8-16(14)20(21,22)23/h2-9H,10-13H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
4-(4-methylpiperazin-1-yl)-2-[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)-2-[2-(trifluoromethyl)phenyl]quinazoline is sourced from PubChem (CID 3234337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).