(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

C19H24N2O2 — CID 124828466

IUPAC(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@H]1CCOC2(C1)CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C19H24N2O2/c1-2-22-17-9-10-23-19(11-17)13-21(14-19)12-16-8-7-15-5-3-4-6-18(15)20-16/h3-8,17H,2,9-14H2,1H3/t17-/m0/s1
InChIKeyOCOBJCKAEWYMJQ-KRWDZBQOSA-N
MW312.41 g/mol
LogP3.00
Rot. Bonds4

About (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124828466) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124828466
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@H]1CCOC2(C1)CN(Cc1ccc3ccccc3n1)C2
InChIInChI=1S/C19H24N2O2/c1-2-22-17-9-10-23-19(11-17)13-21(14-19)12-16-8-7-15-5-3-4-6-18(15)20-16/h3-8,17H,2,9-14H2,1H3/t17-/m0/s1
InChIKeyOCOBJCKAEWYMJQ-KRWDZBQOSA-N
XLogP3.00
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155833679
N,N-dimethyl-2-[[2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]acetamide
CID 133141294
8-methoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171693549
(8R)-8-pyridin-3-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827142
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124818022
8-pyrimidin-2-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155833354
8-pyrazin-2-yloxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155830651
(8R)-8-methoxy-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124802664
(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124912592
8-ethoxy-2-[(1-ethylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 131646131
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
CID 131660368

Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124828466) is (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is CCO[C@H]1CCOC2(C1)CN(Cc1ccc3ccccc3n1)C2.
What is the InChIKey of (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is OCOBJCKAEWYMJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-22-17-9-10-23-19(11-17)13-21(14-19)12-16-8-7-15-5-3-4-6-18(15)20-16/h3-8,17H,2,9-14H2,1H3/t17-/m0/s1.
What are the key properties of (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 312.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124828466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).