8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

C20H26N2O3 — CID 74248539

IUPAC8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESCCOc1ccc2nc(CN3CCC4(CC3)CC(O)CO4)ccc2c1
InChIInChI=1S/C20H26N2O3/c1-2-24-18-5-6-19-15(11-18)3-4-16(21-19)13-22-9-7-20(8-10-22)12-17(23)14-25-20/h3-6,11,17,23H,2,7-10,12-14H2,1H3
InChIKeyRARXJNAWZLPOMG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds4

About 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 74248539) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID74248539
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESCCOc1ccc2nc(CN3CCC4(CC3)CC(O)CO4)ccc2c1
InChIInChI=1S/C20H26N2O3/c1-2-24-18-5-6-19-15(11-18)3-4-16(21-19)13-22-9-7-20(8-10-22)12-17(23)14-25-20/h3-6,11,17,23H,2,7-10,12-14H2,1H3
InChIKeyRARXJNAWZLPOMG-UHFFFAOYSA-N
XLogP2.75
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

9-[(6-ethoxyquinolin-2-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56749582
(1S,5R,6S)-3-[(6-ethoxyquinolin-2-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340638
[4-[[1-[(6-ethoxyquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72895024
3-[1-[(6-ethoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 74238102
(3S,4R)-9-[(6-methoxynaphthalen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165417755
(2R)-1-[(6-ethoxyquinolin-2-yl)methyl]-2-methyl-1,4-diazepan-5-one
CID 99931678
8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74245813
3-[(6-ethoxyquinolin-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 156609769
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
[1-[[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]methyl]piperidin-4-yl] hydrogen carbonate
CID 122471506
5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 77094255
ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
CID 158808959

Frequently Asked Questions

What is the IUPAC name of 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 74248539) is 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is CCOc1ccc2nc(CN3CCC4(CC3)CC(O)CO4)ccc2c1.
What is the InChIKey of 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is RARXJNAWZLPOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-24-18-5-6-19-15(11-18)3-4-16(21-19)13-22-9-7-20(8-10-22)12-17(23)14-25-20/h3-6,11,17,23H,2,7-10,12-14H2,1H3.
What are the key properties of 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 342.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-ethoxyquinolin-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 74248539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).