3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone

C20H19NO3 — CID 18077873

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
SMILESCOCc1c(C(=O)N2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C20H19NO3/c1-23-13-16-15-9-3-5-11-18(15)24-19(16)20(22)21-12-6-8-14-7-2-4-10-17(14)21/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyGCWPULMELTZCIV-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.17
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone (PubChem CID 18077873) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
PubChem CID18077873
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
SMILESCOCc1c(C(=O)N2CCCc3ccccc32)oc2ccccc12
InChIInChI=1S/C20H19NO3/c1-23-13-16-15-9-3-5-11-18(15)24-19(16)20(22)21-12-6-8-14-7-2-4-10-17(14)21/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyGCWPULMELTZCIV-UHFFFAOYSA-N
XLogP4.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone with MolForge

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551121
3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 7688362
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9092877
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
[3-(methoxymethyl)-1-benzofuran-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95342641
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 29456814
(3-aminofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 139690672
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 120744860
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
CID 5262372
3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684715

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone (CID 18077873) is 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone is COCc1c(C(=O)N2CCCc3ccccc32)oc2ccccc12.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone?
The InChIKey is GCWPULMELTZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-13-16-15-9-3-5-11-18(15)24-19(16)20(22)21-12-6-8-14-7-2-4-10-17(14)21/h2-5,7,9-11H,6,8,12-13H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 18077873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).