[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone

C15H14N2O2 — CID 129353573

IUPAC[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1C[C@H]2C[C@H]1CO2
InChIInChI=1S/C15H14N2O2/c18-15(17-8-12-7-11(17)9-19-12)14-6-5-10-3-1-2-4-13(10)16-14/h1-6,11-12H,7-9H2/t11-,12+/m0/s1
InChIKeyKRCSHILIIXQZCW-NWDGAFQWSA-N
MW254.29 g/mol
LogP1.85
Rot. Bonds1

About [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone

[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone (PubChem CID 129353573) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone
PubChem CID129353573
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1C[C@H]2C[C@H]1CO2
InChIInChI=1S/C15H14N2O2/c18-15(17-8-12-7-11(17)9-19-12)14-6-5-10-3-1-2-4-13(10)16-14/h1-6,11-12H,7-9H2/t11-,12+/m0/s1
InChIKeyKRCSHILIIXQZCW-NWDGAFQWSA-N
XLogP1.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 171530362
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
1H-indol-3-yl-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 129354140
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
CID 122331673
(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 118451444
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 119099914
4-(quinoline-2-carbonyl)morpholine-2-carbonitrile
CID 78945922
[(2S,3R)-2,3-dimethylthiomorpholin-4-yl]-quinolin-2-ylmethanone
CID 95630049
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-quinolin-2-ylmethanone
CID 90616065

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone (CID 129353573) is [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1C[C@H]2C[C@H]1CO2.
What is the InChIKey of [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone?
The InChIKey is KRCSHILIIXQZCW-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(17-8-12-7-11(17)9-19-12)14-6-5-10-3-1-2-4-13(10)16-14/h1-6,11-12H,7-9H2/t11-,12+/m0/s1.
What are the key properties of [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone?
[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone has a molecular weight of 254.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 129353573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).