6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C24H22N2O3 — CID 120514628

IUPAC6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)CC2
InChIInChI=1S/C24H22N2O3/c27-22(26-12-10-24(11-13-26)15-19(24)23(28)29)18-14-21(16-6-2-1-3-7-16)25-20-9-5-4-8-17(18)20/h1-9,14,19H,10-13,15H2,(H,28,29)
InChIKeyLEXKDIDNAZBOHH-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.23
Rot. Bonds3

About 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514628) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514628
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)CC2
InChIInChI=1S/C24H22N2O3/c27-22(26-12-10-24(11-13-26)15-19(24)23(28)29)18-14-21(16-6-2-1-3-7-16)25-20-9-5-4-8-17(18)20/h1-9,14,19H,10-13,15H2,(H,28,29)
InChIKeyLEXKDIDNAZBOHH-UHFFFAOYSA-N
XLogP4.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
(2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide
CID 171680971
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514628) is 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)CC2.
What is the InChIKey of 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is LEXKDIDNAZBOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-22(26-12-10-24(11-13-26)15-19(24)23(28)29)18-14-21(16-6-2-1-3-7-16)25-20-9-5-4-8-17(18)20/h1-9,14,19H,10-13,15H2,(H,28,29).
What are the key properties of 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).