8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one

C15H19ClN2O — CID 144823942

IUPAC8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1CCN(C)C
InChIInChI=1S/C15H19ClN2O/c1-4-12-10-11-6-5-7-13(16)14(11)15(19)18(12)9-8-17(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyGWFSFFWJNSZPLG-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.78
Rot. Bonds4

About 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one

8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one (PubChem CID 144823942) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one
PubChem CID144823942
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1CCN(C)C
InChIInChI=1S/C15H19ClN2O/c1-4-12-10-11-6-5-7-13(16)14(11)15(19)18(12)9-8-17(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyGWFSFFWJNSZPLG-UHFFFAOYSA-N
XLogP2.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminosulfanylethyl)-8-chloro-3-ethylisoquinolin-1-one
CID 144823947
2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one
CID 144543857
8-chloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]isoquinolin-1-one
CID 122538501
8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one
CID 144835237
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one
CID 144824131
8-chloro-2-(2,2-dimethylpropyl)-3-propan-2-ylisoquinolin-1-one
CID 71291782
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
CID 144823958
8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one
CID 21445445
tert-butyl N-[(1S)-1-[5-chloro-3-[2-(dimethylamino)ethyl]-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 154441345
8-chloro-1-ethyl-3-methylnaphthalene
CID 169255808
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;5-(2-methyltetrazol-5-yl)pyrimidine-4,6-diamine
CID 144810828

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one?
The IUPAC name of 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one (CID 144823942) is 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one.
What is the SMILES notation for 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one?
The canonical SMILES for 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one is CCc1cc2cccc(Cl)c2c(=O)n1CCN(C)C.
What is the InChIKey of 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one?
The InChIKey is GWFSFFWJNSZPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-4-12-10-11-6-5-7-13(16)14(11)15(19)18(12)9-8-17(2)3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one?
8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one has a molecular weight of 278.78 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one is sourced from PubChem (CID 144823942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).