[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone

C19H22N2O3 — CID 97419649

IUPAC[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
SMILESCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc4ncccc4c3)C2)C1
InChIInChI=1S/C19H22N2O3/c1-23-16-11-19(24-12-16)7-3-9-21(13-19)18(22)15-5-6-17-14(10-15)4-2-8-20-17/h2,4-6,8,10,16H,3,7,9,11-13H2,1H3/t16-,19-/m0/s1
InChIKeyIPIGHHPHFFLPSV-LPHOPBHVSA-N
MW326.40 g/mol
LogP2.64
Rot. Bonds2

About [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone

[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone (PubChem CID 97419649) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
PubChem CID97419649
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
SMILESCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc4ncccc4c3)C2)C1
InChIInChI=1S/C19H22N2O3/c1-23-16-11-19(24-12-16)7-3-9-21(13-19)18(22)15-5-6-17-14(10-15)4-2-8-20-17/h2,4-6,8,10,16H,3,7,9,11-13H2,1H3/t16-,19-/m0/s1
InChIKeyIPIGHHPHFFLPSV-LPHOPBHVSA-N
XLogP2.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
CID 134073962
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone;2,2,2-trifluoroacetic acid
CID 155840880
(3,4-difluorophenyl)-[(3R,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419415
[(3R,5R)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131688625
(2-fluoro-4-pyridinyl)-[(3S,5R)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867340
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
(4-fluoro-2-methylphenyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97423053
phenyl-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97474956
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
CID 124815737
pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone (CID 97419649) is [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone is CO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc4ncccc4c3)C2)C1.
What is the InChIKey of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone?
The InChIKey is IPIGHHPHFFLPSV-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-16-11-19(24-12-16)7-3-9-21(13-19)18(22)15-5-6-17-14(10-15)4-2-8-20-17/h2,4-6,8,10,16H,3,7,9,11-13H2,1H3/t16-,19-/m0/s1.
What are the key properties of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone?
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 97419649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).