[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone

C18H20N2O3 — CID 98811679

IUPAC[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone
SMILESCO[C@@H]1[C@H]2CC[C@H]1OCCN2C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H20N2O3/c1-22-17-15-8-9-16(17)23-11-10-20(15)18(21)14-7-6-12-4-2-3-5-13(12)19-14/h2-7,15-17H,8-11H2,1H3/t15-,16-,17-/m1/s1
InChIKeyFSOLOEXGDKJNBR-BRWVUGGUSA-N
MW312.37 g/mol
LogP2.25
Rot. Bonds2

About [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone

[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone (PubChem CID 98811679) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone
PubChem CID98811679
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone
SMILESCO[C@@H]1[C@H]2CC[C@H]1OCCN2C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H20N2O3/c1-22-17-15-8-9-16(17)23-11-10-20(15)18(21)14-7-6-12-4-2-3-5-13(12)19-14/h2-7,15-17H,8-11H2,1H3/t15-,16-,17-/m1/s1
InChIKeyFSOLOEXGDKJNBR-BRWVUGGUSA-N
XLogP2.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

[(4aR,7R,7aS)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-2-ylmethanone
CID 124826721
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-4-ylmethanone
CID 98811723
[(4aS,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155848742
(9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 134074577
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
1-(9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-3-phenoxypropan-1-one
CID 131662995
[(1R,6R,9R)-9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-naphthalen-1-ylmethanone
CID 98811849
[(1R,6R,9S)-9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-naphthalen-1-ylmethanone
CID 98811848
(3-chloro-4-fluorophenyl)-[(1R,6R,9S)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
CID 98811724
(E)-1-[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 98811704
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
CID 122331673

Frequently Asked Questions

What is the IUPAC name of [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone (CID 98811679) is [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone is CO[C@@H]1[C@H]2CC[C@H]1OCCN2C(=O)c1ccc2ccccc2n1.
What is the InChIKey of [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone?
The InChIKey is FSOLOEXGDKJNBR-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17-15-8-9-16(17)23-11-10-20(15)18(21)14-7-6-12-4-2-3-5-13(12)19-14/h2-7,15-17H,8-11H2,1H3/t15-,16-,17-/m1/s1.
What are the key properties of [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone?
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 98811679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).