cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

C17H21FN4O2 — CID 54165508

IUPACcyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESNC1=NC2(CCN(C(=O)OC3CCC3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C17H21FN4O2/c18-12-5-2-6-13-14(12)15(19)21-17(20-13)7-9-22(10-8-17)16(23)24-11-3-1-4-11/h2,5-6,11,20H,1,3-4,7-10H2,(H2,19,21)
InChIKeyORJHMHMKBAQVNZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.44
Rot. Bonds1

About cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (PubChem CID 54165508) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namecyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
PubChem CID54165508
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Namecyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESNC1=NC2(CCN(C(=O)OC3CCC3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C17H21FN4O2/c18-12-5-2-6-13-14(12)15(19)21-17(20-13)7-9-22(10-8-17)16(23)24-11-3-1-4-11/h2,5-6,11,20H,1,3-4,7-10H2,(H2,19,21)
InChIKeyORJHMHMKBAQVNZ-UHFFFAOYSA-N
XLogP2.44
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (CID 54165508) is cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is NC1=NC2(CCN(C(=O)OC3CCC3)CC2)Nc2cccc(F)c21.
What is the InChIKey of cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The InChIKey is ORJHMHMKBAQVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-12-5-2-6-13-14(12)15(19)21-17(20-13)7-9-22(10-8-17)16(23)24-11-3-1-4-11/h2,5-6,11,20H,1,3-4,7-10H2,(H2,19,21).
What are the key properties of cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 54165508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).