ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride

C15H19ClF2N4O2 — CID 67568850

IUPACethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cc(F)cc1N2.Cl
InChIInChI=1S/C15H18F2N4O2.ClH/c1-2-23-14(22)21-5-3-15(4-6-21)19-11-8-9(16)7-10(17)12(11)13(18)20-15;/h7-8,19H,2-6H2,1H3,(H2,18,20);1H
InChIKeyAIEJFQYQILAEFB-UHFFFAOYSA-N
MW360.79 g/mol
LogP2.47
Rot. Bonds1

About ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride

ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride (PubChem CID 67568850) has the molecular formula C15H19ClF2N4O2 and a molecular weight of 360.79 g/mol. Its IUPAC name is ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
PubChem CID67568850
Molecular FormulaC15H19ClF2N4O2
Molecular Weight360.79 g/mol
Exact Mass360.12
IUPAC Nameethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cc(F)cc1N2.Cl
InChIInChI=1S/C15H18F2N4O2.ClH/c1-2-23-14(22)21-5-3-15(4-6-21)19-11-8-9(16)7-10(17)12(11)13(18)20-15;/h7-8,19H,2-6H2,1H3,(H2,18,20);1H
InChIKeyAIEJFQYQILAEFB-UHFFFAOYSA-N
XLogP2.47
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride 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 ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride (CID 67568850) is ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride is CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cc(F)cc1N2.Cl.
What is the InChIKey of ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
The InChIKey is AIEJFQYQILAEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2.ClH/c1-2-23-14(22)21-5-3-15(4-6-21)19-11-8-9(16)7-10(17)12(11)13(18)20-15;/h7-8,19H,2-6H2,1H3,(H2,18,20);1H.
What are the key properties of ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride has a molecular weight of 360.79 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride is sourced from PubChem (CID 67568850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).