8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine

C23H19ClF2N6O — CID 144835114

IUPAC8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine
SMILESCCCc1cc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C18H14ClF2NO.C5H5N5/c1-2-4-14-7-11-5-3-6-16(19)17(11)18(23)22(14)15-9-12(20)8-13(21)10-15;6-4-3-5(9-1-7-3)10-2-8-4/h3,5-10H,2,4H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyNOXAXSOGDIGMQU-UHFFFAOYSA-N
MW468.90 g/mol
LogP4.81
Rot. Bonds3

About 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine

8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine (PubChem CID 144835114) has the molecular formula C23H19ClF2N6O and a molecular weight of 468.90 g/mol. Its IUPAC name is 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine.

Molecular Properties

Compound Name8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine
PubChem CID144835114
Molecular FormulaC23H19ClF2N6O
Molecular Weight468.90 g/mol
Exact Mass468.13
IUPAC Name8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine
SMILESCCCc1cc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C18H14ClF2NO.C5H5N5/c1-2-4-14-7-11-5-3-6-16(19)17(11)18(23)22(14)15-9-12(20)8-13(21)10-15;6-4-3-5(9-1-7-3)10-2-8-4/h3,5-10H,2,4H2,1H3;1-2H,(H3,6,7,8,9,10)
InChIKeyNOXAXSOGDIGMQU-UHFFFAOYSA-N
XLogP4.81
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.90
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
8-chloro-2-(3,5-difluorophenyl)-3-ethyl-7-fluoroisoquinolin-1-one;7H-purin-6-amine
CID 144835466
3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835371
3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;2-fluoro-7H-purin-6-amine
CID 144620561
3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835156
2-(2,3-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one;7H-purin-6-amine
CID 144835127
3-ethyl-2-phenyl-8-(trifluoromethyl)isoquinolin-1-one;7H-purin-6-amine
CID 144514682
6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835033
5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835206
5-chloro-3-(3,5-difluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
CID 11677104
3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835287

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine?
The IUPAC name of 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine (CID 144835114) is 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine.
What is the SMILES notation for 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine?
The canonical SMILES for 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine is CCCc1cc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine?
The InChIKey is NOXAXSOGDIGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2NO.C5H5N5/c1-2-4-14-7-11-5-3-6-16(19)17(11)18(23)22(14)15-9-12(20)8-13(21)10-15;6-4-3-5(9-1-7-3)10-2-8-4/h3,5-10H,2,4H2,1H3;1-2H,(H3,6,7,8,9,10).
What are the key properties of 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine?
8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine has a molecular weight of 468.90 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3,5-difluorophenyl)-3-propylisoquinolin-1-one;7H-purin-6-amine is sourced from PubChem (CID 144835114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).