6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C19H20N2O3 — CID 120514844

IUPAC6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)Cc1cccc3cccnc13)CC2
InChIInChI=1S/C19H20N2O3/c22-16(11-14-4-1-3-13-5-2-8-20-17(13)14)21-9-6-19(7-10-21)12-15(19)18(23)24/h1-5,8,15H,6-7,9-12H2,(H,23,24)
InChIKeyAFIANJILMLGFPT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.49
Rot. Bonds3

About 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514844) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514844
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)Cc1cccc3cccnc13)CC2
InChIInChI=1S/C19H20N2O3/c22-16(11-14-4-1-3-13-5-2-8-20-17(13)14)21-9-6-19(7-10-21)12-15(19)18(23)24/h1-5,8,15H,6-7,9-12H2,(H,23,24)
InChIKeyAFIANJILMLGFPT-UHFFFAOYSA-N
XLogP2.49
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 120807977
6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175180
[6-(quinolin-8-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 45166149
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55679934
6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175152
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175564
tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
CID 55972152
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175104

Frequently Asked Questions

What is the IUPAC name of 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514844) is 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)Cc1cccc3cccnc13)CC2.
What is the InChIKey of 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is AFIANJILMLGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-16(11-14-4-1-3-13-5-2-8-20-17(13)14)21-9-6-19(7-10-21)12-15(19)18(23)24/h1-5,8,15H,6-7,9-12H2,(H,23,24).
What are the key properties of 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).