2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one

C21H20N2O3 — CID 97285089

IUPAC2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one
SMILESCOc1cccc([C@H]2CCN2C(=O)Cn2ccc3ccccc3c2=O)c1
InChIInChI=1S/C21H20N2O3/c1-26-17-7-4-6-16(13-17)19-10-12-23(19)20(24)14-22-11-9-15-5-2-3-8-18(15)21(22)25/h2-9,11,13,19H,10,12,14H2,1H3/t19-/m1/s1
InChIKeyLXBWARYAUKWBHI-LJQANCHMSA-N
MW348.40 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one

2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one (PubChem CID 97285089) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one.

Molecular Properties

Compound Name2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one
PubChem CID97285089
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one
SMILESCOc1cccc([C@H]2CCN2C(=O)Cn2ccc3ccccc3c2=O)c1
InChIInChI=1S/C21H20N2O3/c1-26-17-7-4-6-16(13-17)19-10-12-23(19)20(24)14-22-11-9-15-5-2-3-8-18(15)21(22)25/h2-9,11,13,19H,10,12,14H2,1H3/t19-/m1/s1
InChIKeyLXBWARYAUKWBHI-LJQANCHMSA-N
XLogP2.98
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
2-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97152481
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97284050
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 74247323
1-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 118781505
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97282486
3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
CID 137334837
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one?
The IUPAC name of 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one (CID 97285089) is 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one.
What is the SMILES notation for 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one?
The canonical SMILES for 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one is COc1cccc([C@H]2CCN2C(=O)Cn2ccc3ccccc3c2=O)c1.
What is the InChIKey of 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one?
The InChIKey is LXBWARYAUKWBHI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-17-7-4-6-16(13-17)19-10-12-23(19)20(24)14-22-11-9-15-5-2-3-8-18(15)21(22)25/h2-9,11,13,19H,10,12,14H2,1H3/t19-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one?
2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one has a molecular weight of 348.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one is sourced from PubChem (CID 97285089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).