1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine

C19H21FN4 — CID 54199750

IUPAC1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCN(Cc3ccccc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H21FN4/c20-15-7-4-8-16-17(15)18(21)23-19(22-16)9-11-24(12-10-19)13-14-5-2-1-3-6-14/h1-8,22H,9-13H2,(H2,21,23)
InChIKeyPOJUMRIPMRZFND-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.95
Rot. Bonds2

About 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine

1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine (PubChem CID 54199750) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine
PubChem CID54199750
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCN(Cc3ccccc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H21FN4/c20-15-7-4-8-16-17(15)18(21)23-19(22-16)9-11-24(12-10-19)13-14-5-2-1-3-6-14/h1-8,22H,9-13H2,(H2,21,23)
InChIKeyPOJUMRIPMRZFND-UHFFFAOYSA-N
XLogP2.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The IUPAC name of 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine (CID 54199750) is 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine.
What is the SMILES notation for 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The canonical SMILES for 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine is NC1=NC2(CCN(Cc3ccccc3)CC2)Nc2cccc(F)c21.
What is the InChIKey of 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The InChIKey is POJUMRIPMRZFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c20-15-7-4-8-16-17(15)18(21)23-19(22-16)9-11-24(12-10-19)13-14-5-2-1-3-6-14/h1-8,22H,9-13H2,(H2,21,23).
What are the key properties of 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine has a molecular weight of 324.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine is sourced from PubChem (CID 54199750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).