[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone

C21H24N2O3 — CID 131660368

IUPAC[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CC2(CC(OCC3CC3)CCO2)C1
InChIInChI=1S/C21H24N2O3/c24-20(19-8-7-16-3-1-2-4-18(16)22-19)23-13-21(14-23)11-17(9-10-26-21)25-12-15-5-6-15/h1-4,7-8,15,17H,5-6,9-14H2
InChIKeyGEHBJXVUYBAYSZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.04
Rot. Bonds4

About [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone

[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone (PubChem CID 131660368) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
PubChem CID131660368
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CC2(CC(OCC3CC3)CCO2)C1
InChIInChI=1S/C21H24N2O3/c24-20(19-8-7-16-3-1-2-4-18(16)22-19)23-13-21(14-23)11-17(9-10-26-21)25-12-15-5-6-15/h1-4,7-8,15,17H,5-6,9-14H2
InChIKeyGEHBJXVUYBAYSZ-UHFFFAOYSA-N
XLogP3.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97477423
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 91918142
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(furan-2-yl)methanone
CID 124787501
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
CID 124819828
[(3S,5S)-3-ethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97475014
furan-3-yl-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797123
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4,5-difluoro-2-methylphenyl)methanone
CID 131654505
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 97418796
cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131644026
[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-quinolin-2-ylmethanone
CID 124869990
[(8R)-8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 124795839

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone?
The IUPAC name of [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone (CID 131660368) is [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CC2(CC(OCC3CC3)CCO2)C1.
What is the InChIKey of [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone?
The InChIKey is GEHBJXVUYBAYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(19-8-7-16-3-1-2-4-18(16)22-19)23-13-21(14-23)11-17(9-10-26-21)25-12-15-5-6-15/h1-4,7-8,15,17H,5-6,9-14H2.
What are the key properties of [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone?
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone has a molecular weight of 352.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 131660368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).