4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile

C20H23N3O2 — CID 97218063

IUPAC4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C#N)nc3ccccc13)CC2
InChIInChI=1S/C20H23N3O2/c1-2-25-19-12-18(24)20(19)7-9-23(10-8-20)17-11-14(13-21)22-16-6-4-3-5-15(16)17/h3-6,11,18-19,24H,2,7-10,12H2,1H3/t18-,19-/m1/s1
InChIKeyZXGUYDNUXXNTNY-RTBURBONSA-N
MW337.42 g/mol
LogP2.86
Rot. Bonds3

About 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile

4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile (PubChem CID 97218063) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
PubChem CID97218063
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C#N)nc3ccccc13)CC2
InChIInChI=1S/C20H23N3O2/c1-2-25-19-12-18(24)20(19)7-9-23(10-8-20)17-11-14(13-21)22-16-6-4-3-5-15(16)17/h3-6,11,18-19,24H,2,7-10,12H2,1H3/t18-,19-/m1/s1
InChIKeyZXGUYDNUXXNTNY-RTBURBONSA-N
XLogP2.86
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile with MolForge

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Related Compounds

3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
CID 75373310
4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
CID 133448513
4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133317978
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
CID 166333218
2-[4-(2-cyanoquinolin-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 133316675
4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
CID 133395785
4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133387064
4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133334912
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-2-carbonitrile
CID 133322880
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indazol-3-yl)methanone
CID 97216094
(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97321248

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile?
The IUPAC name of 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile (CID 97218063) is 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile?
The canonical SMILES for 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile is CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C#N)nc3ccccc13)CC2.
What is the InChIKey of 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile?
The InChIKey is ZXGUYDNUXXNTNY-RTBURBONSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-25-19-12-18(24)20(19)7-9-23(10-8-20)17-11-14(13-21)22-16-6-4-3-5-15(16)17/h3-6,11,18-19,24H,2,7-10,12H2,1H3/t18-,19-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile?
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 97218063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).