[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone

C21H24N2O3 — CID 97477423

IUPAC[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C21H24N2O3/c24-20(19-8-7-16-3-1-2-4-18(16)22-19)23-10-9-21(14-23)11-17(13-26-21)25-12-15-5-6-15/h1-4,7-8,15,17H,5-6,9-14H2/t17-,21-/m0/s1
InChIKeySEFANXIBTIERRH-UWJYYQICSA-N
MW352.43 g/mol
LogP3.04
Rot. Bonds4

About [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone

[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone (PubChem CID 97477423) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
PubChem CID97477423
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C21H24N2O3/c24-20(19-8-7-16-3-1-2-4-18(16)22-19)23-10-9-21(14-23)11-17(13-26-21)25-12-15-5-6-15/h1-4,7-8,15,17H,5-6,9-14H2/t17-,21-/m0/s1
InChIKeySEFANXIBTIERRH-UWJYYQICSA-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

Analyze [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

[(3S,5S)-3-ethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97475014
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
CID 131660368
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 97418796
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 97419705
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 91918142
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-phenylpyrazol-4-yl)methanone
CID 97394209
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(3-fluoro-4-methylphenyl)methanone
CID 97419936

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone (CID 97477423) is [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1.
What is the InChIKey of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone?
The InChIKey is SEFANXIBTIERRH-UWJYYQICSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(19-8-7-16-3-1-2-4-18(16)22-19)23-10-9-21(14-23)11-17(13-26-21)25-12-15-5-6-15/h1-4,7-8,15,17H,5-6,9-14H2/t17-,21-/m0/s1.
What are the key properties of [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone?
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-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 [(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 97477423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).