2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone

C27H28F2N2O — CID 160791407

IUPAC2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone
SMILESCN1CC(C(=O)Cc2ccc(F)cc2)C2(CCC(c3ccnc4ccc(F)cc34)CC2)C1
InChIInChI=1S/C27H28F2N2O/c1-31-16-24(26(32)14-18-2-4-20(28)5-3-18)27(17-31)11-8-19(9-12-27)22-10-13-30-25-7-6-21(29)15-23(22)25/h2-7,10,13,15,19,24H,8-9,11-12,14,16-17H2,1H3
InChIKeySBWHPLYBPCFYMN-UHFFFAOYSA-N
MW434.53 g/mol
LogP5.53
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone

2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone (PubChem CID 160791407) has the molecular formula C27H28F2N2O and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone
PubChem CID160791407
Molecular FormulaC27H28F2N2O
Molecular Weight434.53 g/mol
Exact Mass434.22
IUPAC Name2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone
SMILESCN1CC(C(=O)Cc2ccc(F)cc2)C2(CCC(c3ccnc4ccc(F)cc34)CC2)C1
InChIInChI=1S/C27H28F2N2O/c1-31-16-24(26(32)14-18-2-4-20(28)5-3-18)27(17-31)11-8-19(9-12-27)22-10-13-30-25-7-6-21(29)15-23(22)25/h2-7,10,13,15,19,24H,8-9,11-12,14,16-17H2,1H3
InChIKeySBWHPLYBPCFYMN-UHFFFAOYSA-N
XLogP5.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone with MolForge

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Related Compounds

1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 155419813
N-(4-fluorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 155221367
2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-2-methylpropanoic acid
CID 121318207
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
N-(4-fluorophenyl)-7-(6-fluoroquinolin-4-yl)-1-oxaspiro[3.5]nonane-3-carboxamide
CID 147374433
ethyl 2-[4-(6-fluoroquinolin-4-yl)-1-hydroxycyclohexyl]-3-hydroxypropanoate
CID 155221481
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
2-(4-chlorophenyl)-1-[6-(6-fluoro-7-isocyanoquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157323924
7-(6-fluoroquinolin-4-yl)-N-methyl-N-phenyl-2-azaspiro[3.5]nonane-2-carboxamide
CID 139429288
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 158812272

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone (CID 160791407) is 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone is CN1CC(C(=O)Cc2ccc(F)cc2)C2(CCC(c3ccnc4ccc(F)cc34)CC2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone?
The InChIKey is SBWHPLYBPCFYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O/c1-31-16-24(26(32)14-18-2-4-20(28)5-3-18)27(17-31)11-8-19(9-12-27)22-10-13-30-25-7-6-21(29)15-23(22)25/h2-7,10,13,15,19,24H,8-9,11-12,14,16-17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone?
2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone has a molecular weight of 434.53 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[8-(6-fluoroquinolin-4-yl)-2-methyl-2-azaspiro[4.5]decan-4-yl]ethanone is sourced from PubChem (CID 160791407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).