4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide

C21H24N4O3 — CID 154993590

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
SMILESCOCCNC(=O)c1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2c1
InChIInChI=1S/C21H24N4O3/c1-28-11-8-23-19(26)14-2-3-17-15(12-14)18(16(13-22)20(27)24-17)25-9-6-21(4-5-21)7-10-25/h2-3,12H,4-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyJLJKZSMMJAPLGL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.16
Rot. Bonds5

About 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide

4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide (PubChem CID 154993590) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
PubChem CID154993590
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
SMILESCOCCNC(=O)c1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2c1
InChIInChI=1S/C21H24N4O3/c1-28-11-8-23-19(26)14-2-3-17-15(12-14)18(16(13-22)20(27)24-17)25-9-6-21(4-5-21)7-10-25/h2-3,12H,4-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyJLJKZSMMJAPLGL-UHFFFAOYSA-N
XLogP2.16
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide
CID 166985671
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinoline-6-carboxamide
CID 163727840
3-cyano-1-[[1-[3-cyano-6-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1H-quinolin-4-yl]-4-methylpiperidin-4-yl]oxymethyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-6-carboxamide
CID 166985833
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide
CID 155032193
N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019244
6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993581
4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoline-3-carbonitrile
CID 154993566
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710
4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
CID 163426037
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
CID 164708366
4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518196
4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019535

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide (CID 154993590) is 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide is COCCNC(=O)c1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2c1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide?
The InChIKey is JLJKZSMMJAPLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-28-11-8-23-19(26)14-2-3-17-15(12-14)18(16(13-22)20(27)24-17)25-9-6-21(4-5-21)7-10-25/h2-3,12H,4-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide?
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 154993590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).