(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone

C20H19F3N4O — CID 21192765

IUPAC(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)Nc2ccccc21
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)14-7-5-13(6-8-14)18(28)27-11-9-19(10-12-27)25-16-4-2-1-3-15(16)17(24)26-19/h1-8,25H,9-12H2,(H2,24,26)
InChIKeyFOHCTSUZLZRUHD-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.47
Rot. Bonds1

About (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 21192765) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID21192765
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)Nc2ccccc21
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)14-7-5-13(6-8-14)18(28)27-11-9-19(10-12-27)25-16-4-2-1-3-15(16)17(24)26-19/h1-8,25H,9-12H2,(H2,24,26)
InChIKeyFOHCTSUZLZRUHD-UHFFFAOYSA-N
XLogP3.47
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 21192765) is (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone is NC1=NC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)Nc2ccccc21.
What is the InChIKey of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FOHCTSUZLZRUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)14-7-5-13(6-8-14)18(28)27-11-9-19(10-12-27)25-16-4-2-1-3-15(16)17(24)26-19/h1-8,25H,9-12H2,(H2,24,26).
What are the key properties of (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 388.39 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 21192765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).