1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C18H15NO2 — CID 79732531

IUPAC1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C1CCCc2cccnc21
InChIInChI=1S/C18H15NO2/c20-18(16-11-13-5-1-2-9-15(13)21-16)14-8-3-6-12-7-4-10-19-17(12)14/h1-2,4-5,7,9-11,14H,3,6,8H2
InChIKeyZLJZADDFVQHUJP-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.13
Rot. Bonds2

About 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone

1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 79732531) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID79732531
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C1CCCc2cccnc21
InChIInChI=1S/C18H15NO2/c20-18(16-11-13-5-1-2-9-15(13)21-16)14-8-3-6-12-7-4-10-19-17(12)14/h1-2,4-5,7,9-11,14H,3,6,8H2
InChIKeyZLJZADDFVQHUJP-UHFFFAOYSA-N
XLogP4.13
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072
[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116590073
(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782095
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 116603381
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 116590039
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 79732531) is 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone is O=C(c1cc2ccccc2o1)C1CCCc2cccnc21.
What is the InChIKey of 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is ZLJZADDFVQHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18(16-11-13-5-1-2-9-15(13)21-16)14-8-3-6-12-7-4-10-19-17(12)14/h1-2,4-5,7,9-11,14H,3,6,8H2.
What are the key properties of 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 79732531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).