2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one

C15H17F3N4O — CID 136673956

IUPAC2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
SMILESC[C@@H](N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c1-10(15(16,17)18)21-6-8-22(9-7-21)14-19-12-5-3-2-4-11(12)13(23)20-14/h2-5,10H,6-9H2,1H3,(H,19,20,23)/t10-/m1/s1
InChIKeyDLKMHNQHJLLVIZ-SNVBAGLBSA-N
MW326.32 g/mol
LogP2.00
Rot. Bonds2

About 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one

2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 136673956) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID136673956
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
SMILESC[C@@H](N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F3N4O/c1-10(15(16,17)18)21-6-8-22(9-7-21)14-19-12-5-3-2-4-11(12)13(23)20-14/h2-5,10H,6-9H2,1H3,(H,19,20,23)/t10-/m1/s1
InChIKeyDLKMHNQHJLLVIZ-SNVBAGLBSA-N
XLogP2.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one 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 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one (CID 136673956) is 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one is C[C@@H](N1CCN(c2nc3ccccc3c(=O)[nH]2)CC1)C(F)(F)F.
What is the InChIKey of 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is DLKMHNQHJLLVIZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10(15(16,17)18)21-6-8-22(9-7-21)14-19-12-5-3-2-4-11(12)13(23)20-14/h2-5,10H,6-9H2,1H3,(H,19,20,23)/t10-/m1/s1.
What are the key properties of 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 326.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136673956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).