1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone

C19H20FNO — CID 155419813

IUPAC1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESCC(=O)C1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C19H20FNO/c1-12(22)17-11-19(17)7-4-13(5-8-19)15-6-9-21-18-3-2-14(20)10-16(15)18/h2-3,6,9-10,13,17H,4-5,7-8,11H2,1H3
InChIKeyHZVNIUSMVDEEJB-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.63
Rot. Bonds2

About 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone

1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (PubChem CID 155419813) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
PubChem CID155419813
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
SMILESCC(=O)C1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C19H20FNO/c1-12(22)17-11-19(17)7-4-13(5-8-19)15-6-9-21-18-3-2-14(20)10-16(15)18/h2-3,6,9-10,13,17H,4-5,7-8,11H2,1H3
InChIKeyHZVNIUSMVDEEJB-UHFFFAOYSA-N
XLogP4.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone with MolForge

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 155019173
(2S)-N-(6-chloro-3-pyridinyl)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octane-2-carboxamide
CID 147211398
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
N-(4-fluorophenyl)-7-(6-fluoroquinolin-4-yl)-1-oxaspiro[3.5]nonane-3-carboxamide
CID 147374433
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone
CID 160791407
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
tert-butyl 1-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]cyclopropane-1-carboxylate
CID 139512745
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The IUPAC name of 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone (CID 155419813) is 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone.
What is the SMILES notation for 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The canonical SMILES for 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is CC(=O)C1CC12CCC(c1ccnc3ccc(F)cc13)CC2.
What is the InChIKey of 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
The InChIKey is HZVNIUSMVDEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-12(22)17-11-19(17)7-4-13(5-8-19)15-6-9-21-18-3-2-14(20)10-16(15)18/h2-3,6,9-10,13,17H,4-5,7-8,11H2,1H3.
What are the key properties of 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone?
1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone has a molecular weight of 297.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone is sourced from PubChem (CID 155419813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).