6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one

C12H14FN3O — CID 102549266

IUPAC6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
SMILESO=C1NC2(CCCNC2)Nc2ccc(F)cc21
InChIInChI=1S/C12H14FN3O/c13-8-2-3-10-9(6-8)11(17)16-12(15-10)4-1-5-14-7-12/h2-3,6,14-15H,1,4-5,7H2,(H,16,17)
InChIKeyPKIWUMFAPFBZAB-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.06
Rot. Bonds

About 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one

6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one (PubChem CID 102549266) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
PubChem CID102549266
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
SMILESO=C1NC2(CCCNC2)Nc2ccc(F)cc21
InChIInChI=1S/C12H14FN3O/c13-8-2-3-10-9(6-8)11(17)16-12(15-10)4-1-5-14-7-12/h2-3,6,14-15H,1,4-5,7H2,(H,16,17)
InChIKeyPKIWUMFAPFBZAB-UHFFFAOYSA-N
XLogP1.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The IUPAC name of 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one (CID 102549266) is 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one.
What is the SMILES notation for 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The canonical SMILES for 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one is O=C1NC2(CCCNC2)Nc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The InChIKey is PKIWUMFAPFBZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-8-2-3-10-9(6-8)11(17)16-12(15-10)4-1-5-14-7-12/h2-3,6,14-15H,1,4-5,7H2,(H,16,17).
What are the key properties of 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one has a molecular weight of 235.26 g/mol, XLogP of 1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one is sourced from PubChem (CID 102549266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).