7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane

C18H22N2O — CID 135103826

IUPAC7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESCc1ccc(CN2CCC3(CCO3)CC2)c2cccnc12
InChIInChI=1S/C18H22N2O/c1-14-4-5-15(16-3-2-9-19-17(14)16)13-20-10-6-18(7-11-20)8-12-21-18/h2-5,9H,6-8,10-13H2,1H3
InChIKeyJOOQUJAQASISDW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.30
Rot. Bonds2

About 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane

7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 135103826) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane
PubChem CID135103826
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESCc1ccc(CN2CCC3(CCO3)CC2)c2cccnc12
InChIInChI=1S/C18H22N2O/c1-14-4-5-15(16-3-2-9-19-17(14)16)13-20-10-6-18(7-11-20)8-12-21-18/h2-5,9H,6-8,10-13H2,1H3
InChIKeyJOOQUJAQASISDW-UHFFFAOYSA-N
XLogP3.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8-methylquinolin-5-yl)methanamine
CID 51072174
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(8-methylquinolin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 72909541
4-(2,2-difluoroethyl)-1-[(5-methylquinolin-8-yl)methyl]piperidine-4-carboxylic acid
CID 167754601
5-fluoro-8-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]quinoline
CID 37385220
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
8-methoxy-5-(piperidin-1-ylmethyl)quinoline
CID 135293876
4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135113041
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
4-[(5-fluoroquinolin-8-yl)methyl]-2-methylmorpholine
CID 42957454
[5-(morpholin-4-ylmethyl)quinolin-8-yl] 4-methylbenzoate
CID 5119422
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611

Frequently Asked Questions

What is the IUPAC name of 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane (CID 135103826) is 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane is Cc1ccc(CN2CCC3(CCO3)CC2)c2cccnc12.
What is the InChIKey of 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is JOOQUJAQASISDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-4-5-15(16-3-2-9-19-17(14)16)13-20-10-6-18(7-11-20)8-12-21-18/h2-5,9H,6-8,10-13H2,1H3.
What are the key properties of 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane?
7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 282.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8-methylquinolin-5-yl)methyl]-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 135103826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).