1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone

C21H21NO2 — CID 2979986

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCCc4ccccc43)coc2c1
InChIInChI=1S/C21H21NO2/c1-14-10-15(2)21-17(13-24-19(21)11-14)12-20(23)22-9-5-7-16-6-3-4-8-18(16)22/h3-4,6,8,10-11,13H,5,7,9,12H2,1-2H3
InChIKeyWPWCGVWGIBUDIU-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.57
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone (PubChem CID 2979986) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
PubChem CID2979986
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCCc4ccccc43)coc2c1
InChIInChI=1S/C21H21NO2/c1-14-10-15(2)21-17(13-24-19(21)11-14)12-20(23)22-9-5-7-16-6-3-4-8-18(16)22/h3-4,6,8,10-11,13H,5,7,9,12H2,1-2H3
InChIKeyWPWCGVWGIBUDIU-UHFFFAOYSA-N
XLogP4.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone (CID 2979986) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone is Cc1cc(C)c2c(CC(=O)N3CCCc4ccccc43)coc2c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
The InChIKey is WPWCGVWGIBUDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-10-15(2)21-17(13-24-19(21)11-14)12-20(23)22-9-5-7-16-6-3-4-8-18(16)22/h3-4,6,8,10-11,13H,5,7,9,12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone has a molecular weight of 319.40 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 2979986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).