(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one

C15H16N2O2 — CID 166219750

IUPAC(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
SMILESC[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC1
InChIInChI=1S/C15H16N2O2/c1-11(15(18)17-7-4-8-17)19-13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-11H,4,7-8H2,1H3/t11-/m0/s1
InChIKeyWYUZUBGKVBWSHS-NSHDSACASA-N
MW256.31 g/mol
LogP2.23
Rot. Bonds3

About (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one

(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one (PubChem CID 166219750) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
PubChem CID166219750
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
SMILESC[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC1
InChIInChI=1S/C15H16N2O2/c1-11(15(18)17-7-4-8-17)19-13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-11H,4,7-8H2,1H3/t11-/m0/s1
InChIKeyWYUZUBGKVBWSHS-NSHDSACASA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one with MolForge

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Related Compounds

2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 70709165
1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
CID 110487998
2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 43326380
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 53001293
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794863
1-(azepan-1-yl)-2-[6-(2-methylpyrimidin-5-yl)naphthalen-2-yl]oxypropan-1-one
CID 175644301
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
(2S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-3-yloxypropanamide
CID 166219335

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one?
The IUPAC name of (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one (CID 166219750) is (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one.
What is the SMILES notation for (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one?
The canonical SMILES for (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one is C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC1.
What is the InChIKey of (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one?
The InChIKey is WYUZUBGKVBWSHS-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(15(18)17-7-4-8-17)19-13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-11H,4,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one?
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one has a molecular weight of 256.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one is sourced from PubChem (CID 166219750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).