1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone

C18H21NO2 — CID 114736885

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C1CCC2CCCCC2N1
InChIInChI=1S/C18H21NO2/c20-18(17-11-13-6-2-4-8-16(13)21-17)15-10-9-12-5-1-3-7-14(12)19-15/h2,4,6,8,11-12,14-15,19H,1,3,5,7,9-10H2
InChIKeyIUWIIUXUMLWKFE-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.93
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone (PubChem CID 114736885) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone
PubChem CID114736885
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C1CCC2CCCCC2N1
InChIInChI=1S/C18H21NO2/c20-18(17-11-13-6-2-4-8-16(13)21-17)15-10-9-12-5-1-3-7-14(12)19-15/h2,4,6,8,11-12,14-15,19H,1,3,5,7,9-10H2
InChIKeyIUWIIUXUMLWKFE-UHFFFAOYSA-N
XLogP3.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone
CID 115807122
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
N-(1-benzofuran-2-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337074
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-phenylethanone
CID 116585916
N-[2-(1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119332487
1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
CID 107187534
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 112693433
(2-bromophenyl)methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylate
CID 82805789
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid
CID 82275123

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone (CID 114736885) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone is O=C(c1cc2ccccc2o1)C1CCC2CCCCC2N1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone?
The InChIKey is IUWIIUXUMLWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(17-11-13-6-2-4-8-16(13)21-17)15-10-9-12-5-1-3-7-14(12)19-15/h2,4,6,8,11-12,14-15,19H,1,3,5,7,9-10H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114736885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).