phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

C19H20N4O2 — CID 21192752

IUPACphenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESNC1=NC2(CCN(C(=O)Oc3ccccc3)CC2)Nc2ccccc21
InChIInChI=1S/C19H20N4O2/c20-17-15-8-4-5-9-16(15)21-19(22-17)10-12-23(13-11-19)18(24)25-14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H2,20,22)
InChIKeyVQTADZGEXWRKIE-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.81
Rot. Bonds1

About phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (PubChem CID 21192752) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namephenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
PubChem CID21192752
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Namephenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESNC1=NC2(CCN(C(=O)Oc3ccccc3)CC2)Nc2ccccc21
InChIInChI=1S/C19H20N4O2/c20-17-15-8-4-5-9-16(15)21-19(22-17)10-12-23(13-11-19)18(24)25-14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H2,20,22)
InChIKeyVQTADZGEXWRKIE-UHFFFAOYSA-N
XLogP2.81
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (CID 21192752) is phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is NC1=NC2(CCN(C(=O)Oc3ccccc3)CC2)Nc2ccccc21.
What is the InChIKey of phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The InChIKey is VQTADZGEXWRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-17-15-8-4-5-9-16(15)21-19(22-17)10-12-23(13-11-19)18(24)25-14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H2,20,22).
What are the key properties of phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate has a molecular weight of 336.40 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 21192752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).