9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C20H26N2O3 — CID 72852084

IUPAC9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cccc2ccc(CN3CCC4(CC3)OCCCC4O)nc12
InChIInChI=1S/C20H26N2O3/c1-24-17-5-2-4-15-7-8-16(21-19(15)17)14-22-11-9-20(10-12-22)18(23)6-3-13-25-20/h2,4-5,7-8,18,23H,3,6,9-14H2,1H3
InChIKeyKJLLFGRCPARMLL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds3

About 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72852084) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72852084
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cccc2ccc(CN3CCC4(CC3)OCCCC4O)nc12
InChIInChI=1S/C20H26N2O3/c1-24-17-5-2-4-15-7-8-16(21-19(15)17)14-22-11-9-20(10-12-22)18(23)6-3-13-25-20/h2,4-5,7-8,18,23H,3,6,9-14H2,1H3
InChIKeyKJLLFGRCPARMLL-UHFFFAOYSA-N
XLogP2.75
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
(5S)-9-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97186663
(5S)-9-[(2-ethylpyrimidin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99935784
(5S)-9-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97119868
(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
CID 45165567
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122563198
2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 28733081
2-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-8-methoxyquinoline
CID 95897130
2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]-8-methoxyquinoline
CID 56916123

Frequently Asked Questions

What is the IUPAC name of 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72852084) is 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is COc1cccc2ccc(CN3CCC4(CC3)OCCCC4O)nc12.
What is the InChIKey of 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is KJLLFGRCPARMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-17-5-2-4-15-7-8-16(21-19(15)17)14-22-11-9-20(10-12-22)18(23)6-3-13-25-20/h2,4-5,7-8,18,23H,3,6,9-14H2,1H3.
What are the key properties of 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 342.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72852084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).