4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one

C19H20N2O2 — CID 163426037

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
SMILESC#Cc1c(N2CCC3(CC2)CC3)c2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C19H20N2O2/c1-3-14-17(21-10-8-19(6-7-19)9-11-21)15-12-13(23-2)4-5-16(15)20-18(14)22/h1,4-5,12H,6-11H2,2H3,(H,20,22)
InChIKeyICJOVNAHPHSROL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.90
Rot. Bonds2

About 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one

4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one (PubChem CID 163426037) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
PubChem CID163426037
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
SMILESC#Cc1c(N2CCC3(CC2)CC3)c2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C19H20N2O2/c1-3-14-17(21-10-8-19(6-7-19)9-11-21)15-12-13(23-2)4-5-16(15)20-18(14)22/h1,4-5,12H,6-11H2,2H3,(H,20,22)
InChIKeyICJOVNAHPHSROL-UHFFFAOYSA-N
XLogP2.90
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
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)-6-[(1S,2R)-2-methylcyclopropyl]-1H-quinolin-2-one
CID 163958594
6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one
CID 163958592
4-(2-azaspiro[4.5]decan-2-yl)-3-ethynyl-1H-quinolin-2-one
CID 163971769
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinoline-6-carboxamide
CID 163727840
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-(2-methoxyethyl)-2-oxo-1H-quinoline-6-carboxamide
CID 154993590
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
6-chloro-4-(4-ethyl-4-methoxypiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993581
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710
6-cyclopropyl-3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164959338
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one (CID 163426037) is 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one is C#Cc1c(N2CCC3(CC2)CC3)c2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one?
The InChIKey is ICJOVNAHPHSROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-14-17(21-10-8-19(6-7-19)9-11-21)15-12-13(23-2)4-5-16(15)20-18(14)22/h1,4-5,12H,6-11H2,2H3,(H,20,22).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one?
4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 163426037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).