2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one

C19H14ClNO2 — CID 144543857

IUPAC2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1ccc2occc2c1
InChIInChI=1S/C19H14ClNO2/c1-2-14-11-13-4-3-5-16(20)18(13)19(22)21(14)15-6-7-17-12(10-15)8-9-23-17/h3-11H,2H2,1H3
InChIKeyAFKSKEUXCYDIPI-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.95
Rot. Bonds2

About 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one

2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one (PubChem CID 144543857) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one
PubChem CID144543857
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1ccc2occc2c1
InChIInChI=1S/C19H14ClNO2/c1-2-14-11-13-4-3-5-16(20)18(13)19(22)21(14)15-6-7-17-12(10-15)8-9-23-17/h3-11H,2H2,1H3
InChIKeyAFKSKEUXCYDIPI-UHFFFAOYSA-N
XLogP4.95
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one
CID 78060225
8-chloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]isoquinolin-1-one
CID 122538501
8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one
CID 144823942
8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one
CID 144835237
2-(3,4-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one
CID 144835469
2-(2-aminosulfanylethyl)-8-chloro-3-ethylisoquinolin-1-one
CID 144823947
8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 71291771
3-[(1S)-1-aminoethyl]-8-chloro-2-(3-chlorophenyl)isoquinolin-1-one
CID 168899867
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine
CID 144620561
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;5-(2-methyltetrazol-5-yl)pyrimidine-4,6-diamine
CID 144810828
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;5-methylsulfonylpyrimidine-2,4-diamine
CID 144543957
3-(1-aminoethyl)-8-chloro-2-(1,2-oxazol-3-yl)isoquinolin-1-one
CID 78044037

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one?
The IUPAC name of 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one (CID 144543857) is 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one?
The canonical SMILES for 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one is CCc1cc2cccc(Cl)c2c(=O)n1-c1ccc2occc2c1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one?
The InChIKey is AFKSKEUXCYDIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c1-2-14-11-13-4-3-5-16(20)18(13)19(22)21(14)15-6-7-17-12(10-15)8-9-23-17/h3-11H,2H2,1H3.
What are the key properties of 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one?
2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one has a molecular weight of 323.78 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one is sourced from PubChem (CID 144543857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).