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

C15H19ClN4O2 — CID 10925337

IUPACethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1N2
InChIInChI=1S/C15H19ClN4O2/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)
InChIKeyUTCXKRXHURSMMU-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.42
Rot. Bonds1

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

ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (PubChem CID 10925337) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
PubChem CID10925337
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Nameethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1N2
InChIInChI=1S/C15H19ClN4O2/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)
InChIKeyUTCXKRXHURSMMU-UHFFFAOYSA-N
XLogP2.42
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.42
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-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (CID 10925337) is ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)N=C(N)c1c(Cl)cccc1N2.
What is the InChIKey of ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The InChIKey is UTCXKRXHURSMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/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-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
ethyl 4-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate has a molecular weight of 322.80 g/mol, XLogP of 2.42, 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-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 10925337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).