1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone

C21H21NO3 — CID 113199468

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
SMILESO=C(Cc1c2c(cc3c1OCC3)OCC2)N1CCCc2ccccc21
InChIInChI=1S/C21H21NO3/c23-20(22-9-3-5-14-4-1-2-6-18(14)22)13-17-16-8-11-24-19(16)12-15-7-10-25-21(15)17/h1-2,4,6,12H,3,5,7-11,13H2
InChIKeyKEPAFQVLRCPRJY-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.08
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone (PubChem CID 113199468) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
PubChem CID113199468
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
SMILESO=C(Cc1c2c(cc3c1OCC3)OCC2)N1CCCc2ccccc21
InChIInChI=1S/C21H21NO3/c23-20(22-9-3-5-14-4-1-2-6-18(14)22)13-17-16-8-11-24-19(16)12-15-7-10-25-21(15)17/h1-2,4,6,12H,3,5,7-11,13H2
InChIKeyKEPAFQVLRCPRJY-UHFFFAOYSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110857070
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 51277451
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
N-(2-methylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199463
piperidin-1-yl(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methanone
CID 113199930
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 7123197
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 113211353

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone (CID 113199468) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone is O=C(Cc1c2c(cc3c1OCC3)OCC2)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
The InChIKey is KEPAFQVLRCPRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(22-9-3-5-14-4-1-2-6-18(14)22)13-17-16-8-11-24-19(16)12-15-7-10-25-21(15)17/h1-2,4,6,12H,3,5,7-11,13H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone has a molecular weight of 335.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone is sourced from PubChem (CID 113199468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).