2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone

C20H17F3N4O — CID 1145410

IUPAC2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)C(F)(F)F
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)18(28)26-10-12-27(13-11-26)19-24-16-9-5-4-8-15(16)17(25-19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyOPQXXGZHFQHCRK-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.51
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone (PubChem CID 1145410) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone
PubChem CID1145410
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)C(F)(F)F
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)18(28)26-10-12-27(13-11-26)19-24-16-9-5-4-8-15(16)17(25-19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyOPQXXGZHFQHCRK-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135526883
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
2-[4-(2-Aminoquinazolin-4-Yl)phenyl]-N,N-Dimethyl-Acetamide
CID 118704901
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995
4-(2-(1-Benzylpiperidin-4-yl)ethyl)quinazoline
CID 10404467
2-Phenyl-4-(1-piperidinyl)quinazoline
CID 780644

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone (CID 1145410) is 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone is O=C(N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is OPQXXGZHFQHCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)18(28)26-10-12-27(13-11-26)19-24-16-9-5-4-8-15(16)17(25-19)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 386.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1145410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).