4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one

C20H22N2O — CID 163971769

IUPAC4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one
SMILESC#Cc1c(N2CCC3(CCCCC3)C2)c2ccccc2[nH]c1=O
InChIInChI=1S/C20H22N2O/c1-2-15-18(16-8-4-5-9-17(16)21-19(15)23)22-13-12-20(14-22)10-6-3-7-11-20/h1,4-5,8-9H,3,6-7,10-14H2,(H,21,23)
InChIKeyFLSZSVMIUBRXDU-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.67
Rot. Bonds1

About 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one

4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one (PubChem CID 163971769) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one
PubChem CID163971769
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one
SMILESC#Cc1c(N2CCC3(CCCCC3)C2)c2ccccc2[nH]c1=O
InChIInChI=1S/C20H22N2O/c1-2-15-18(16-8-4-5-9-17(16)21-19(15)23)22-13-12-20(14-22)10-6-3-7-11-20/h1,4-5,8-9H,3,6-7,10-14H2,(H,21,23)
InChIKeyFLSZSVMIUBRXDU-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019351
4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126507552
4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
CID 163426037
4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019364
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-1H-quinolin-2-one
CID 163872072
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1S,2R)-2-methylcyclopropyl]-1H-quinolin-2-one
CID 163958594
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinoline-6-carboxamide
CID 163727840
2-(2-azaspiro[4.4]nonan-2-yl)-3-chlorobenzaldehyde
CID 114279358

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one?
The IUPAC name of 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one (CID 163971769) is 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one?
The canonical SMILES for 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one is C#Cc1c(N2CCC3(CCCCC3)C2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one?
The InChIKey is FLSZSVMIUBRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-15-18(16-8-4-5-9-17(16)21-19(15)23)22-13-12-20(14-22)10-6-3-7-11-20/h1,4-5,8-9H,3,6-7,10-14H2,(H,21,23).
What are the key properties of 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one?
4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one is sourced from PubChem (CID 163971769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).