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

C18H15NO2 — CID 114737357

IUPAC1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cccc2c1CCCN2
InChIInChI=1S/C18H15NO2/c20-18(17-11-12-5-1-2-9-16(12)21-17)14-6-3-8-15-13(14)7-4-10-19-15/h1-3,5-6,8-9,11,19H,4,7,10H2
InChIKeySKDGFRHDMOBJQO-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.02
Rot. Bonds2

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

1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 114737357) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID114737357
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cccc2c1CCCN2
InChIInChI=1S/C18H15NO2/c20-18(17-11-12-5-1-2-9-16(12)21-17)14-6-3-8-15-13(14)7-4-10-19-15/h1-3,5-6,8-9,11,19H,4,7,10H2
InChIKeySKDGFRHDMOBJQO-UHFFFAOYSA-N
XLogP4.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 114737388
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
1-benzofuran-2-yl-(2-ethyl-3-hydroxyphenyl)methanone
CID 141300148
oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610355
2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 105412079
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 60834864
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
(5-amino-1H-pyrazol-4-yl)-(1-benzofuran-2-yl)methanone
CID 114725427
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 106764101
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 114737357) is 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is O=C(c1cc2ccccc2o1)c1cccc2c1CCCN2.
What is the InChIKey of 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is SKDGFRHDMOBJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18(17-11-12-5-1-2-9-16(12)21-17)14-6-3-8-15-13(14)7-4-10-19-15/h1-3,5-6,8-9,11,19H,4,7,10H2.
What are the key properties of 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 114737357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).