2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane

C16H22N2O — CID 79677672

IUPAC2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane
SMILESc1cc2c(cc1N1CC3(CCOCC3)C1)CCCN2
InChIInChI=1S/C16H22N2O/c1-2-13-10-14(3-4-15(13)17-7-1)18-11-16(12-18)5-8-19-9-6-16/h3-4,10,17H,1-2,5-9,11-12H2
InChIKeyPELRERMAVDWKSR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.66
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane

2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 79677672) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane
PubChem CID79677672
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane
SMILESc1cc2c(cc1N1CC3(CCOCC3)C1)CCCN2
InChIInChI=1S/C16H22N2O/c1-2-13-10-14(3-4-15(13)17-7-1)18-11-16(12-18)5-8-19-9-6-16/h3-4,10,17H,1-2,5-9,11-12H2
InChIKeyPELRERMAVDWKSR-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one
CID 62635265
2,5-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81214490
4-(1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 81218135
N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81463756
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-(trifluoromethyl)aniline
CID 79689081
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214611
2-chloro-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)benzoic acid
CID 79695358
6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224527
5-ethyl-2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81215510

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane (CID 79677672) is 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane is c1cc2c(cc1N1CC3(CCOCC3)C1)CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is PELRERMAVDWKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-13-10-14(3-4-15(13)17-7-1)18-11-16(12-18)5-8-19-9-6-16/h3-4,10,17H,1-2,5-9,11-12H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane?
2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 258.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 79677672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).