3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one

C19H15ClN2O2 — CID 78060225

IUPAC3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one
SMILESCC(N)c1cc2cccc(Cl)c2c(=O)n1-c1ccc2occc2c1
InChIInChI=1S/C19H15ClN2O2/c1-11(21)16-10-13-3-2-4-15(20)18(13)19(23)22(16)14-5-6-17-12(9-14)7-8-24-17/h2-11H,21H2,1H3
InChIKeyBBJCZUIIPURVDM-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.41
Rot. Bonds2

About 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one

3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one (PubChem CID 78060225) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one
PubChem CID78060225
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one
SMILESCC(N)c1cc2cccc(Cl)c2c(=O)n1-c1ccc2occc2c1
InChIInChI=1S/C19H15ClN2O2/c1-11(21)16-10-13-3-2-4-15(20)18(13)19(23)22(16)14-5-6-17-12(9-14)7-8-24-17/h2-11H,21H2,1H3
InChIKeyBBJCZUIIPURVDM-UHFFFAOYSA-N
XLogP4.41
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one 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

2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one
CID 144543857
3-[(1S)-1-aminoethyl]-8-chloro-2-(3-chlorophenyl)isoquinolin-1-one
CID 168899867
3-[(1S)-1-aminoethyl]-8-chloro-2-(4-fluorophenyl)isoquinolin-1-one
CID 71232889
3-(1-aminoethyl)-8-chloro-2-(1,2-oxazol-3-yl)isoquinolin-1-one
CID 78044037
3-[(1S)-1-aminoethyl]-8-chloro-2-quinolin-7-ylisoquinolin-1-one
CID 71273967
3-[(1S)-1-aminoethyl]-8-chloro-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 71235928
3-[(1S)-1-aminoethyl]-8-hydroxy-2-phenylisoquinolin-1-one
CID 71273824
3-(1-aminoethyl)-2-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-one
CID 123261572
3-[(1R)-1-aminoethyl]sulfanyl-8-chloro-2-phenylisoquinolin-1-one
CID 144717299
8-chloro-2-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one
CID 123264128
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl] carbamate
CID 175039954
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]carbamic acid
CID 137463939

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one?
The IUPAC name of 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one (CID 78060225) is 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one.
What is the SMILES notation for 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one?
The canonical SMILES for 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one is CC(N)c1cc2cccc(Cl)c2c(=O)n1-c1ccc2occc2c1.
What is the InChIKey of 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one?
The InChIKey is BBJCZUIIPURVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-11(21)16-10-13-3-2-4-15(20)18(13)19(23)22(16)14-5-6-17-12(9-14)7-8-24-17/h2-11H,21H2,1H3.
What are the key properties of 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one?
3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one has a molecular weight of 338.79 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-2-(1-benzofuran-5-yl)-8-chloroisoquinolin-1-one is sourced from PubChem (CID 78060225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).