1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride

C15H19ClN6O — CID 67569968

IUPAC1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride
SMILESCc1noc(N2CCC3(CC2)N=C(N)c2ccccc2N3)n1.Cl
InChIInChI=1S/C15H18N6O.ClH/c1-10-17-14(22-20-10)21-8-6-15(7-9-21)18-12-5-3-2-4-11(12)13(16)19-15;/h2-5,18H,6-9H2,1H3,(H2,16,19);1H
InChIKeyANFPCWDRFYRXIF-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.93
Rot. Bonds1

About 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride

1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride (PubChem CID 67569968) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride.

Molecular Properties

Compound Name1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride
PubChem CID67569968
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride
SMILESCc1noc(N2CCC3(CC2)N=C(N)c2ccccc2N3)n1.Cl
InChIInChI=1S/C15H18N6O.ClH/c1-10-17-14(22-20-10)21-8-6-15(7-9-21)18-12-5-3-2-4-11(12)13(16)19-15;/h2-5,18H,6-9H2,1H3,(H2,16,19);1H
InChIKeyANFPCWDRFYRXIF-UHFFFAOYSA-N
XLogP1.93
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride?
The IUPAC name of 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride (CID 67569968) is 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride.
What is the SMILES notation for 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride?
The canonical SMILES for 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride is Cc1noc(N2CCC3(CC2)N=C(N)c2ccccc2N3)n1.Cl.
What is the InChIKey of 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride?
The InChIKey is ANFPCWDRFYRXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O.ClH/c1-10-17-14(22-20-10)21-8-6-15(7-9-21)18-12-5-3-2-4-11(12)13(16)19-15;/h2-5,18H,6-9H2,1H3,(H2,16,19);1H.
What are the key properties of 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride?
1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride is sourced from PubChem (CID 67569968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).