2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone

C18H17NO2 — CID 116598214

IUPAC2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CCNc2ccccc21
InChIInChI=1S/C18H17NO2/c20-18(13-5-6-17-12(11-13)8-10-21-17)15-7-9-19-16-4-2-1-3-14(15)16/h1-6,11,15,19H,7-10H2
InChIKeyYOAWTHWEFJNGJT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.40
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone

2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 116598214) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID116598214
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1CCNc2ccccc21
InChIInChI=1S/C18H17NO2/c20-18(13-5-6-17-12(11-13)8-10-21-17)15-7-9-19-16-4-2-1-3-14(15)16/h1-6,11,15,19H,7-10H2
InChIKeyYOAWTHWEFJNGJT-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 62718081
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 104544097
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
(4-propylphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598109
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 116598214) is 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone is O=C(c1ccc2c(c1)CCO2)C1CCNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is YOAWTHWEFJNGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(13-5-6-17-12(11-13)8-10-21-17)15-7-9-19-16-4-2-1-3-14(15)16/h1-6,11,15,19H,7-10H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 116598214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).