8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one

C16H12ClFN2O — CID 144835237

IUPAC8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1cnccc1F
InChIInChI=1S/C16H12ClFN2O/c1-2-11-8-10-4-3-5-12(17)15(10)16(21)20(11)14-9-19-7-6-13(14)18/h3-9H,2H2,1H3
InChIKeyPQDQRAMDVQCPTH-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.74
Rot. Bonds2

About 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one

8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one (PubChem CID 144835237) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one
PubChem CID144835237
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1cnccc1F
InChIInChI=1S/C16H12ClFN2O/c1-2-11-8-10-4-3-5-12(17)15(10)16(21)20(11)14-9-19-7-6-13(14)18/h3-9H,2H2,1H3
InChIKeyPQDQRAMDVQCPTH-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-3-ethyl-2-[4-(trifluoromethoxy)phenyl]isoquinolin-1-one
CID 122538501
2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one
CID 144543857
8-chloro-2-[2-(dimethylamino)ethyl]-3-ethylisoquinolin-1-one
CID 144823942
2-(3,4-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one
CID 144835469
2-(2-aminosulfanylethyl)-8-chloro-3-ethylisoquinolin-1-one
CID 144823947
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-methylsulfonylpyrimidine-2,4-diamine
CID 144543957
4-amino-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145212601
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde;8-chloro-3-ethyl-2-(2-methylsulfonylphenyl)isoquinolin-1-one;methanamine
CID 144824142
2-(2,3-difluorophenyl)-8-fluoro-3-propylisoquinolin-1-one
CID 144835434
7-aminopyrazolo[1,5-b][1,2,4]triazine-8-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415648
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-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one?
The IUPAC name of 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one (CID 144835237) is 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one.
What is the SMILES notation for 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one?
The canonical SMILES for 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one is CCc1cc2cccc(Cl)c2c(=O)n1-c1cnccc1F.
What is the InChIKey of 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one?
The InChIKey is PQDQRAMDVQCPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-2-11-8-10-4-3-5-12(17)15(10)16(21)20(11)14-9-19-7-6-13(14)18/h3-9H,2H2,1H3.
What are the key properties of 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one?
8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one has a molecular weight of 302.74 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-2-(4-fluoro-3-pyridinyl)isoquinolin-1-one is sourced from PubChem (CID 144835237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).