[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone

C20H20N4O3 — CID 146112848

IUPAC[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone
SMILESCOCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc3ccccc3n2)o1
InChIInChI=1S/C20H20N4O3/c1-26-12-17-22-23-19(27-17)20-10-8-14(20)9-11-24(20)18(25)16-7-6-13-4-2-3-5-15(13)21-16/h2-7,14H,8-12H2,1H3/t14-,20-/m0/s1
InChIKeyYZJFHODXNGBAPI-XOBRGWDASA-N
MW364.41 g/mol
LogP2.92
Rot. Bonds4

About [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone

[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone (PubChem CID 146112848) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone
PubChem CID146112848
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone
SMILESCOCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc3ccccc3n2)o1
InChIInChI=1S/C20H20N4O3/c1-26-12-17-22-23-19(27-17)20-10-8-14(20)9-11-24(20)18(25)16-7-6-13-4-2-3-5-15(13)21-16/h2-7,14H,8-12H2,1H3/t14-,20-/m0/s1
InChIKeyYZJFHODXNGBAPI-XOBRGWDASA-N
XLogP2.92
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

1-[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-5,5-dimethylhexan-1-one
CID 146112808
(6-ethyl-2-pyridinyl)-[(1S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]methanone
CID 146112892
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
CID 7812565
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 91918142
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
[(1R,6R,9R)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-quinolin-2-ylmethanone
CID 98811679
1-[(4aS,8aS)-4a-methyl-5-(quinoline-2-carbonyl)-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110140700
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 97418796

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone (CID 146112848) is [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone is COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc3ccccc3n2)o1.
What is the InChIKey of [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone?
The InChIKey is YZJFHODXNGBAPI-XOBRGWDASA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-12-17-22-23-19(27-17)20-10-8-14(20)9-11-24(20)18(25)16-7-6-13-4-2-3-5-15(13)21-16/h2-7,14H,8-12H2,1H3/t14-,20-/m0/s1.
What are the key properties of [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone?
[(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-azabicyclo[3.2.0]heptan-2-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 146112848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).