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

C15H19FN4O2 — CID 11034111

IUPACethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2
InChIInChI=1S/C15H19FN4O2/c1-2-22-14(21)20-8-6-15(7-9-20)18-11-5-3-4-10(16)12(11)13(17)19-15/h3-5,18H,2,6-9H2,1H3,(H2,17,19)
InChIKeyFTNKTGJCALFVLR-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.91
Rot. Bonds1

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

ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (PubChem CID 11034111) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
PubChem CID11034111
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Nameethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2
InChIInChI=1S/C15H19FN4O2/c1-2-22-14(21)20-8-6-15(7-9-20)18-11-5-3-4-10(16)12(11)13(17)19-15/h3-5,18H,2,6-9H2,1H3,(H2,17,19)
InChIKeyFTNKTGJCALFVLR-UHFFFAOYSA-N
XLogP1.91
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (CID 11034111) is ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2.
What is the InChIKey of ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The InChIKey is FTNKTGJCALFVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-2-22-14(21)20-8-6-15(7-9-20)18-11-5-3-4-10(16)12(11)13(17)19-15/h3-5,18H,2,6-9H2,1H3,(H2,17,19).
What are the key properties of ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 1.91, 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-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 11034111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).