(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one

C17H25FN2O — CID 155573960

IUPAC(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one
SMILESCCN1C2=CC[C@H](CCF)C=C2C(=O)CC12CCNCC2
InChIInChI=1S/C17H25FN2O/c1-2-20-15-4-3-13(5-8-18)11-14(15)16(21)12-17(20)6-9-19-10-7-17/h4,11,13,19H,2-3,5-10,12H2,1H3/t13-/m1/s1
InChIKeyPRUFHXNQRGMMOM-CYBMUJFWSA-N
MW292.40 g/mol
LogP2.59
Rot. Bonds3

About (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one

(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one (PubChem CID 155573960) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one
PubChem CID155573960
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one
SMILESCCN1C2=CC[C@H](CCF)C=C2C(=O)CC12CCNCC2
InChIInChI=1S/C17H25FN2O/c1-2-20-15-4-3-13(5-8-18)11-14(15)16(21)12-17(20)6-9-19-10-7-17/h4,11,13,19H,2-3,5-10,12H2,1H3/t13-/m1/s1
InChIKeyPRUFHXNQRGMMOM-CYBMUJFWSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one?
The IUPAC name of (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one (CID 155573960) is (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one.
What is the SMILES notation for (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one?
The canonical SMILES for (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one is CCN1C2=CC[C@H](CCF)C=C2C(=O)CC12CCNCC2.
What is the InChIKey of (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one?
The InChIKey is PRUFHXNQRGMMOM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-20-15-4-3-13(5-8-18)11-14(15)16(21)12-17(20)6-9-19-10-7-17/h4,11,13,19H,2-3,5-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one?
(6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one has a molecular weight of 292.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-ethyl-6-(2-fluoroethyl)spiro[6,7-dihydro-3H-quinoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 155573960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).