8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine

C22H18ClFN6O — CID 144620561

IUPAC8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Nc1nc(F)nc2nc[nH]c12
InChIInChI=1S/C17H14ClNO.C5H4FN5/c1-2-13-11-12-7-6-10-15(18)16(12)17(20)19(13)14-8-4-3-5-9-14;6-5-10-3(7)2-4(11-5)9-1-8-2/h3-11H,2H2,1H3;1H,(H3,7,8,9,10,11)
InChIKeyJLJBWUIQSZOKLC-UHFFFAOYSA-N
MW436.88 g/mol
LogP4.28
Rot. Bonds2

About 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine

8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine (PubChem CID 144620561) has the molecular formula C22H18ClFN6O and a molecular weight of 436.88 g/mol. Its IUPAC name is 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine.

Molecular Properties

Compound Name8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine
PubChem CID144620561
Molecular FormulaC22H18ClFN6O
Molecular Weight436.88 g/mol
Exact Mass436.12
IUPAC Name8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Nc1nc(F)nc2nc[nH]c12
InChIInChI=1S/C17H14ClNO.C5H4FN5/c1-2-13-11-12-7-6-10-15(18)16(12)17(20)19(13)14-8-4-3-5-9-14;6-5-10-3(7)2-4(11-5)9-1-8-2/h3-11H,2H2,1H3;1H,(H3,7,8,9,10,11)
InChIKeyJLJBWUIQSZOKLC-UHFFFAOYSA-N
XLogP4.28
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.88
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835114
3-ethyl-2-phenyl-8-(trifluoromethyl)isoquinolin-1-one;7H-purin-6-amine
CID 144514682
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
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
4-amino-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145212601
2-(2,3-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one;7H-purin-6-amine
CID 144835127
8-chloro-2-(3,5-difluorophenyl)-3-ethyl-7-fluoroisoquinolin-1-one;7H-purin-6-amine
CID 144835466
7-aminopyrazolo[1,5-b][1,2,4]triazine-8-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415648
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415656
5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
CID 144835105

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine?
The IUPAC name of 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine (CID 144620561) is 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine.
What is the SMILES notation for 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine?
The canonical SMILES for 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine is CCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Nc1nc(F)nc2nc[nH]c12.
What is the InChIKey of 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine?
The InChIKey is JLJBWUIQSZOKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO.C5H4FN5/c1-2-13-11-12-7-6-10-15(18)16(12)17(20)19(13)14-8-4-3-5-9-14;6-5-10-3(7)2-4(11-5)9-1-8-2/h3-11H,2H2,1H3;1H,(H3,7,8,9,10,11).
What are the key properties of 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine?
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine has a molecular weight of 436.88 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine is sourced from PubChem (CID 144620561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).