4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile

C18H19N3O2 — CID 154993307

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2c1
InChIInChI=1S/C18H19N3O2/c1-23-12-2-3-15-13(10-12)16(14(11-19)17(22)20-15)21-8-6-18(4-5-18)7-9-21/h2-3,10H,4-9H2,1H3,(H,20,22)
InChIKeyWQIRAGIHLZBJBC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.79
Rot. Bonds2

About 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile

4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 154993307) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID154993307
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
SMILESCOc1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2c1
InChIInChI=1S/C18H19N3O2/c1-23-12-2-3-15-13(10-12)16(14(11-19)17(22)20-15)21-8-6-18(4-5-18)7-9-21/h2-3,10H,4-9H2,1H3,(H,20,22)
InChIKeyWQIRAGIHLZBJBC-UHFFFAOYSA-N
XLogP2.79
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
CID 163426037
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
CID 154993590
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-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518196
4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126507552
4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993592
4-(6-azaspiro[2.5]octan-6-yl)-N-(azetidin-3-yl)-3-cyano-2-oxo-1H-quinoline-6-carboxamide
CID 166985671
4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518550
4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518026
6-methoxy-4-oxo-1H-quinoline-2,3-dicarbonitrile
CID 110272546

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile (CID 154993307) is 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile is COc1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2c1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is WQIRAGIHLZBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-12-2-3-15-13(10-12)16(14(11-19)17(22)20-15)21-8-6-18(4-5-18)7-9-21/h2-3,10H,4-9H2,1H3,(H,20,22).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile?
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 154993307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).