[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone

C22H24N2O3 — CID 70716899

IUPAC[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCOc1ccccc1OC1CN(C(=O)c2[nH]c3c(C)ccc(C)c3c2C)C1
InChIInChI=1S/C22H24N2O3/c1-13-9-10-14(2)20-19(13)15(3)21(23-20)22(25)24-11-16(12-24)27-18-8-6-5-7-17(18)26-4/h5-10,16,23H,11-12H2,1-4H3
InChIKeyCIJFXJPMYQKIJY-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.01
Rot. Bonds4

About [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone

[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (PubChem CID 70716899) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
PubChem CID70716899
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCOc1ccccc1OC1CN(C(=O)c2[nH]c3c(C)ccc(C)c3c2C)C1
InChIInChI=1S/C22H24N2O3/c1-13-9-10-14(2)20-19(13)15(3)21(23-20)22(25)24-11-16(12-24)27-18-8-6-5-7-17(18)26-4/h5-10,16,23H,11-12H2,1-4H3
InChIKeyCIJFXJPMYQKIJY-UHFFFAOYSA-N
XLogP4.01
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone with MolForge

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Related Compounds

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97149989
5-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]-1H-pyrazin-2-one
CID 86285870
[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70785183
[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 70742909
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
(2,4-dimethylquinolin-7-yl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70774437
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97145875
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 70774161
[3-(2-methoxyphenoxy)azetidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 96581278
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 136542403

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (CID 70716899) is [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is COc1ccccc1OC1CN(C(=O)c2[nH]c3c(C)ccc(C)c3c2C)C1.
What is the InChIKey of [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The InChIKey is CIJFXJPMYQKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13-9-10-14(2)20-19(13)15(3)21(23-20)22(25)24-11-16(12-24)27-18-8-6-5-7-17(18)26-4/h5-10,16,23H,11-12H2,1-4H3.
What are the key properties of [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 70716899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).