[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone

C20H20N2O2 — CID 15015514

IUPAC[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)n(C3CNC3)c3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-13-19(20(23)14-7-9-16(24-2)10-8-14)17-5-3-4-6-18(17)22(13)15-11-21-12-15/h3-10,15,21H,11-12H2,1-2H3
InChIKeyMQQOQBUMLBDRTE-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.33
Rot. Bonds4

About [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone

[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 15015514) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID15015514
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)n(C3CNC3)c3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-13-19(20(23)14-7-9-16(24-2)10-8-14)17-5-3-4-6-18(17)22(13)15-11-21-12-15/h3-10,15,21H,11-12H2,1-2H3
InChIKeyMQQOQBUMLBDRTE-UHFFFAOYSA-N
XLogP3.33
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219331
(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219335
(4-methoxyphenyl)-[2-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968741
(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968777
(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 15169782
(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
CID 15015511
(4-methoxyphenyl)-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]methanone
CID 3771354
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
CID 15030122
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone (CID 15015514) is [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)n(C3CNC3)c3ccccc23)cc1.
What is the InChIKey of [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MQQOQBUMLBDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-19(20(23)14-7-9-16(24-2)10-8-14)17-5-3-4-6-18(17)22(13)15-11-21-12-15/h3-10,15,21H,11-12H2,1-2H3.
What are the key properties of [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone?
[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 320.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 15015514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).